(1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine

C25H32N6O — CID 124764092

IUPAC(1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2cccnc2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C25H32N6O/c1-19-10-12-21(13-11-19)24(25-27-28-29-31(25)22-7-2-3-8-22)30(18-23-9-5-15-32-23)17-20-6-4-14-26-16-20/h4,6,10-14,16,22-24H,2-3,5,7-9,15,17-18H2,1H3/t23-,24-/m1/s1
InChIKeyPTTGHDIVSYRSAL-DNQXCXABSA-N
MW432.57 g/mol
LogP4.26
Rot. Bonds8

About (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine

(1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine (PubChem CID 124764092) has the molecular formula C25H32N6O and a molecular weight of 432.57 g/mol. Its IUPAC name is (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine.

Molecular Properties

Compound Name(1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
PubChem CID124764092
Molecular FormulaC25H32N6O
Molecular Weight432.57 g/mol
Exact Mass432.26
IUPAC Name(1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine
SMILESCc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2cccnc2)C[C@H]2CCCO2)cc1
InChIInChI=1S/C25H32N6O/c1-19-10-12-21(13-11-19)24(25-27-28-29-31(25)22-7-2-3-8-22)30(18-23-9-5-15-32-23)17-20-6-4-14-26-16-20/h4,6,10-14,16,22-24H,2-3,5,7-9,15,17-18H2,1H3/t23-,24-/m1/s1
InChIKeyPTTGHDIVSYRSAL-DNQXCXABSA-N
XLogP4.26
TPSA68.96 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.57
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-(1-cyclohexyltetrazol-5-yl)-N-(furan-2-ylmethyl)-1-(4-methylphenyl)-N-(oxolan-2-ylmethyl)methanamine
CID 3193711
1-(1-tert-butyltetrazol-5-yl)-1-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine;hydrochloride
CID 171700106
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-ethyl-1H-quinolin-2-one
CID 40587037
3-[(S)-(1-cyclopentyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 28608281
(1S)-1-(1-tert-butyltetrazol-5-yl)-N-[(4-chlorophenyl)methyl]-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 124764168
3-[(1-cyclohexyltetrazol-5-yl)-[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 3187280
3-[[benzyl(pyridin-3-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6-methyl-1H-quinolin-2-one
CID 3149962
3-[(S)-[benzyl(pyridin-3-ylmethyl)amino]-(1-cyclopentyltetrazol-5-yl)methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 28607375
1-(1-cyclopentyltetrazol-5-yl)-N-(furan-2-ylmethyl)-2-methyl-N-(pyridin-3-ylmethyl)propan-1-amine
CID 3193663
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-7-methyl-1H-quinolin-2-one
CID 28606890
3-[(R)-(1-cyclohexyltetrazol-5-yl)-[[(2S)-oxolan-2-yl]methyl-(thiophen-2-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 28606346
3-[(R)-(1-cyclopentyltetrazol-5-yl)-[furan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1074092

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
The IUPAC name of (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine (CID 124764092) is (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine.
What is the SMILES notation for (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
The canonical SMILES for (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine is Cc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2cccnc2)C[C@H]2CCCO2)cc1.
What is the InChIKey of (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
The InChIKey is PTTGHDIVSYRSAL-DNQXCXABSA-N. The full InChI is InChI=1S/C25H32N6O/c1-19-10-12-21(13-11-19)24(25-27-28-29-31(25)22-7-2-3-8-22)30(18-23-9-5-15-32-23)17-20-6-4-14-26-16-20/h4,6,10-14,16,22-24H,2-3,5,7-9,15,17-18H2,1H3/t23-,24-/m1/s1.
What are the key properties of (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine?
(1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine has a molecular weight of 432.57 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-cyclopentyltetrazol-5-yl)-1-(4-methylphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(pyridin-3-ylmethyl)methanamine is sourced from PubChem (CID 124764092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).