1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine

C16H33N3 — CID 79304129

IUPAC1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCN1CCCC1CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3/c1-3-19-12-8-9-15(19)13-18(2)16(14-17)10-6-4-5-7-11-16/h15H,3-14,17H2,1-2H3
InChIKeyYJZRWPPKCNMRQB-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.45
Rot. Bonds5

About 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine

1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 79304129) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
PubChem CID79304129
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCN1CCCC1CN(C)C1(CN)CCCCCC1
InChIInChI=1S/C16H33N3/c1-3-19-12-8-9-15(19)13-18(2)16(14-17)10-6-4-5-7-11-16/h15H,3-14,17H2,1-2H3
InChIKeyYJZRWPPKCNMRQB-UHFFFAOYSA-N
XLogP2.45
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79308723
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-N-methylcyclohexan-1-amine
CID 106872648
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N,2,4,4-tetramethylcyclohexan-1-amine
CID 81303824
1-(aminomethyl)-N-(cyclopropylmethyl)-N-methylcyclooctan-1-amine
CID 60985128
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
CID 79304256
2-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79303418
1-[1-[[1-(aminomethyl)cyclohexyl]methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62890070
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-3-N-methylbutane-1,3-diamine
CID 79302990
1-(aminomethyl)-N-(cyclohexylmethyl)-N-methylcyclobutan-1-amine
CID 79521344
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
1-(aminomethyl)-N-methyl-N-[(2-methylcyclopropyl)methyl]cycloheptan-1-amine
CID 63879073

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine (CID 79304129) is 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine is CCN1CCCC1CN(C)C1(CN)CCCCCC1.
What is the InChIKey of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is YJZRWPPKCNMRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-3-19-12-8-9-15(19)13-18(2)16(14-17)10-6-4-5-7-11-16/h15H,3-14,17H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 79304129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).