1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine

C18H31N3 — CID 115999031

IUPAC1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1ccccn1)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H31N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21(5)10-15-8-6-7-9-20-15/h6-9H,10-14,19H2,1-5H3
InChIKeyRNFWQKXWVRYHSR-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.45
Rot. Bonds4

About 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine

1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine (PubChem CID 115999031) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
PubChem CID115999031
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
SMILESCN(Cc1ccccn1)C1(CN)CC(C)(C)CC(C)(C)C1
InChIInChI=1S/C18H31N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21(5)10-15-8-6-7-9-20-15/h6-9H,10-14,19H2,1-5H3
InChIKeyRNFWQKXWVRYHSR-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,3,3-trimethyl-N-(pyridin-2-ylmethyl)cyclopentan-1-amine
CID 80706158
1-(aminomethyl)-N,3,3-trimethyl-N-[(6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 80705437
1-(aminomethyl)-N-ethyl-3-methyl-N-(pyridin-2-ylmethyl)cyclobutan-1-amine
CID 103563079
1-(aminomethyl)-N,2-dimethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine
CID 43564802
ethane;pyridin-2-ylmethanamine
CID 90791011
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
2-[1-(aminomethyl)cyclohexyl]-N-methyl-N-(pyridin-2-ylmethyl)ethanamine
CID 104678721
N-[[4-(aminomethyl)oxan-4-yl]methyl]-N-methyl-1-pyridin-2-ylmethanamine
CID 62390958
2-N,2-dimethyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43564797
[5-[[methyl(pyridin-2-ylmethyl)amino]methyl]-1,2-oxazol-3-yl]methanamine
CID 62434127

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine (CID 115999031) is 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine is CN(Cc1ccccn1)C1(CN)CC(C)(C)CC(C)(C)C1.
What is the InChIKey of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is RNFWQKXWVRYHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-16(2)11-17(3,4)13-18(12-16,14-19)21(5)10-15-8-6-7-9-20-15/h6-9H,10-14,19H2,1-5H3.
What are the key properties of 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine?
1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,3,3,5,5-pentamethyl-N-(pyridin-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 115999031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).