N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

C18H26ClN5O — CID 7140997

IUPACN-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C18H26ClN5O/c1-18(2,3)24-17(20-21-22-24)13-23(12-16-5-4-10-25-16)11-14-6-8-15(19)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3/t16-/m0/s1
InChIKeyWZUBVMJHOQVFNH-INIZCTEOSA-N
MW363.89 g/mol
LogP3.26
Rot. Bonds6

About N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine

N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (PubChem CID 7140997) has the molecular formula C18H26ClN5O and a molecular weight of 363.89 g/mol. Its IUPAC name is N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.

Molecular Properties

Compound NameN-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
PubChem CID7140997
Molecular FormulaC18H26ClN5O
Molecular Weight363.89 g/mol
Exact Mass363.18
IUPAC NameN-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
SMILESCC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1
InChIInChI=1S/C18H26ClN5O/c1-18(2,3)24-17(20-21-22-24)13-23(12-16-5-4-10-25-16)11-14-6-8-15(19)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3/t16-/m0/s1
InChIKeyWZUBVMJHOQVFNH-INIZCTEOSA-N
XLogP3.26
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.89
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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-tert-butyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170561
3-[(R)-(1-tert-butyltetrazol-5-yl)-[(4-chlorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 124898135
4-[[ethyl(oxolan-2-ylmethyl)amino]methyl]aniline
CID 43458835
5,7-dimethyl-3-[[[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-1H-quinolin-2-one
CID 1171381
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 45193579
3-[(R)-[(4-chlorophenyl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]-[1-(2-methylbutan-2-yl)tetrazol-5-yl]methyl]-5,7-dimethyl-1H-quinolin-2-one
CID 124900329
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 97189206
N'-benzyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 61014418
N-[(4-chloro-5-methyl-1H-pyrazol-3-yl)methyl]-1-(oxolan-2-yl)-N-(pyridin-4-ylmethyl)methanamine
CID 74230946
4-N-[(4-chlorophenyl)methyl]-1-N,1-N-diethyl-4-N-(oxolan-2-ylmethyl)benzene-1,4-disulfonamide
CID 3189851
5-[[(4-methoxyphenyl)methyl-(oxolan-2-ylmethyl)amino]methyl]pyrimidin-2-amine
CID 46962866

Frequently Asked Questions

What is the IUPAC name of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The IUPAC name of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine (CID 7140997) is N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine.
What is the SMILES notation for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The canonical SMILES for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is CC(C)(C)n1nnnc1CN(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1.
What is the InChIKey of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
The InChIKey is WZUBVMJHOQVFNH-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26ClN5O/c1-18(2,3)24-17(20-21-22-24)13-23(12-16-5-4-10-25-16)11-14-6-8-15(19)9-7-14/h6-9,16H,4-5,10-13H2,1-3H3/t16-/m0/s1.
What are the key properties of N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine?
N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine has a molecular weight of 363.89 g/mol, XLogP of 3.26, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-tert-butyltetrazol-5-yl)methyl]-N-[(4-chlorophenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine is sourced from PubChem (CID 7140997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).