N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

C12H21N5O — CID 86826034

IUPACN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1nnnn1C1CC1)CC1CCCCO1
InChIInChI=1S/C12H21N5O/c1-16(8-11-4-2-3-7-18-11)9-12-13-14-15-17(12)10-5-6-10/h10-11H,2-9H2,1H3
InChIKeyYMYLGGYMKPILBL-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.01
Rot. Bonds5

About N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (PubChem CID 86826034) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.

Molecular Properties

Compound NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
PubChem CID86826034
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC NameN-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine
SMILESCN(Cc1nnnn1C1CC1)CC1CCCCO1
InChIInChI=1S/C12H21N5O/c1-16(8-11-4-2-3-7-18-11)9-12-13-14-15-17(12)10-5-6-10/h10-11H,2-9H2,1H3
InChIKeyYMYLGGYMKPILBL-UHFFFAOYSA-N
XLogP1.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-[(2-methoxyphenyl)methyl]-1-[(2S)-oxolan-2-yl]methanamine
CID 97189206
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171291
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2R)-oxolan-2-yl]methyl]amino]methyl]-6,8-dimethyl-1H-quinolin-2-one
CID 1171093
3-[[(1-cyclohexyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6,7-dimethyl-1H-quinolin-2-one
CID 1171302
3-[[(1-cyclopentyltetrazol-5-yl)methyl-[[(2S)-oxolan-2-yl]methyl]amino]methyl]-6-methyl-1H-quinolin-2-one
CID 1170587
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N,4-dimethylcyclohexan-1-amine
CID 86989057
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 86922257
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methylazetidin-3-amine
CID 66187611
N,N-dimethyl-5-[[methyl-[[(2S)-oxan-2-yl]methyl]amino]methyl]pyrimidin-2-amine
CID 99576651
3-[[(1-cyclohexyltetrazol-5-yl)methyl-(oxolan-2-ylmethyl)amino]methyl]-6-methoxy-1H-quinolin-2-one
CID 3186331
N-methyl-N-[(2-methyl-1,3-oxazol-4-yl)methyl]-1-(oxan-2-yl)methanamine
CID 155799698
N-methyl-N-(oxan-2-ylmethyl)propan-1-amine
CID 169307436

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The IUPAC name of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine (CID 86826034) is N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine.
What is the SMILES notation for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The canonical SMILES for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is CN(Cc1nnnn1C1CC1)CC1CCCCO1.
What is the InChIKey of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
The InChIKey is YMYLGGYMKPILBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-16(8-11-4-2-3-7-18-11)9-12-13-14-15-17(12)10-5-6-10/h10-11H,2-9H2,1H3.
What are the key properties of N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine?
N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine has a molecular weight of 251.33 g/mol, XLogP of 1.01, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopropyltetrazol-5-yl)methyl]-N-methyl-1-(oxan-2-yl)methanamine is sourced from PubChem (CID 86826034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).