1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine

C16H33N3 — CID 62010329

IUPAC1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
SMILESCN(CCCN1CCCC1)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3/c1-18(11-8-14-19-12-6-7-13-19)16(15-17)9-4-2-3-5-10-16/h2-15,17H2,1H3
InChIKeyPNQSMBBLQKTDEM-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.46
Rot. Bonds6

About 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine

1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine (PubChem CID 62010329) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
PubChem CID62010329
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine
SMILESCN(CCCN1CCCC1)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3/c1-18(11-8-14-19-12-6-7-13-19)16(15-17)9-4-2-3-5-10-16/h2-15,17H2,1H3
InChIKeyPNQSMBBLQKTDEM-UHFFFAOYSA-N
XLogP2.46
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cyclopentan-1-amine
CID 62010539
1-(aminomethyl)-N-methyl-N-(2-pyrrolidin-1-ylethyl)cyclopropan-1-amine
CID 106661226
1-(aminomethyl)-N-ethyl-N-(3-pyrrolidin-1-ylpropyl)cyclohexan-1-amine
CID 62005984
4-(aminomethyl)-N-methyl-N-pentyl-1-propylazepan-4-amine
CID 65078655
1-(aminomethyl)-N-(3-fluoropropyl)-N-methylcyclopentan-1-amine
CID 81106189
1-(aminomethyl)-N-decyl-N-methylcycloheptan-1-amine
CID 63481336
1-(aminomethyl)-N-(3-ethoxypropyl)-N-methylcyclohexan-1-amine
CID 65176468
1-(aminomethyl)-N-methyl-4-propyl-N-(2-pyrrolidin-1-ylethyl)cyclohexan-1-amine
CID 63206903
N'-methyl-N'-(3-piperidin-1-ylpropyl)propane-1,3-diamine
CID 155107025
1-(aminomethyl)-N-(4-methoxybutyl)-N-methylcyclopentan-1-amine
CID 104647259
1-(aminomethyl)-N-methyl-N-(4,4,4-trifluorobutyl)cyclopentan-1-amine
CID 115513364
1-(aminomethyl)-N-methyl-N-(2-methylsulfanylethyl)cyclododecan-1-amine
CID 115985606

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine (CID 62010329) is 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine is CN(CCCN1CCCC1)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
The InChIKey is PNQSMBBLQKTDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-18(11-8-14-19-12-6-7-13-19)16(15-17)9-4-2-3-5-10-16/h2-15,17H2,1H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine?
1-(aminomethyl)-N-methyl-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.46, 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-N-(3-pyrrolidin-1-ylpropyl)cycloheptan-1-amine is sourced from PubChem (CID 62010329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).