1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine

C18H31N3 — CID 65089283

IUPAC1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(C)Cc2ccncc2)CC1
InChIInChI=1S/C18H31N3/c1-3-5-16-6-4-10-18(15-19,11-7-16)21(2)14-17-8-12-20-13-9-17/h8-9,12-13,16H,3-7,10-11,14-15,19H2,1-2H3
InChIKeyXFCJDUJCLUVFDQ-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.59
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine

1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine (PubChem CID 65089283) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
PubChem CID65089283
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine
SMILESCCCC1CCCC(CN)(N(C)Cc2ccncc2)CC1
InChIInChI=1S/C18H31N3/c1-3-5-16-6-4-10-18(15-19,11-7-16)21(2)14-17-8-12-20-13-9-17/h8-9,12-13,16H,3-7,10-11,14-15,19H2,1-2H3
InChIKeyXFCJDUJCLUVFDQ-UHFFFAOYSA-N
XLogP3.59
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 60916311
1-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)cyclohexan-1-amine
CID 43564069
1-(aminomethyl)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-4-propylcyclohexan-1-amine
CID 61438543
1-(aminomethyl)-N-methyl-N-phenyl-4-propylcycloheptan-1-amine
CID 65091488
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
CID 63473105
1-(aminomethyl)-N-(cyclobutylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 62861295
1-(aminomethyl)-N-(cyclopentylmethyl)-N-methyl-4-propylcyclohexan-1-amine
CID 63631397
1-(aminomethyl)-N-(2-methoxyethyl)-N-methyl-4-propylcycloheptan-1-amine
CID 65089385
[4-propyl-1-(pyridin-4-ylmethoxy)cyclohexyl]methanamine
CID 65052803
1-(aminomethyl)-N-cyclohexyl-N-methyl-4-propylcycloheptan-1-amine
CID 65091681
1-(aminomethyl)-N-[(4-bromophenyl)methyl]-N-methylcyclobutan-1-amine
CID 79521426
1-(aminomethyl)-N-methyl-N-[(4-methylphenyl)methyl]cyclopentan-1-amine
CID 28798848

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine (CID 65089283) is 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine is CCCC1CCCC(CN)(N(C)Cc2ccncc2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
The InChIKey is XFCJDUJCLUVFDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-3-5-16-6-4-10-18(15-19,11-7-16)21(2)14-17-8-12-20-13-9-17/h8-9,12-13,16H,3-7,10-11,14-15,19H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine?
1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine has a molecular weight of 289.47 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-4-propyl-N-(pyridin-4-ylmethyl)cycloheptan-1-amine is sourced from PubChem (CID 65089283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).