1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine

C18H37N3 — CID 79308723

IUPAC1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(C)CC2CCCN2CC)CC1
InChIInChI=1S/C18H37N3/c1-4-16-8-6-11-18(15-19,12-10-16)20(3)14-17-9-7-13-21(17)5-2/h16-17H,4-15,19H2,1-3H3
InChIKeyVPMSPGPRBYSOQD-UHFFFAOYSA-N
MW295.51 g/mol
LogP3.09
Rot. Bonds6

About 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine

1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine (PubChem CID 79308723) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
PubChem CID79308723
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
SMILESCCC1CCCC(CN)(N(C)CC2CCCN2CC)CC1
InChIInChI=1S/C18H37N3/c1-4-16-8-6-11-18(15-19,12-10-16)20(3)14-17-9-7-13-21(17)5-2/h16-17H,4-15,19H2,1-3H3
InChIKeyVPMSPGPRBYSOQD-UHFFFAOYSA-N
XLogP3.09
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine
CID 79304129
1-(aminomethyl)-4-ethyl-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine
CID 63275986
1-(aminomethyl)-N,N,4-triethylcycloheptan-1-amine
CID 65088009
4-(aminomethyl)-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]thian-4-amine
CID 79303837
4-(aminomethyl)-N-(cyclopentylmethyl)-1-ethyl-N-methylazepan-4-amine
CID 65075624
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
N'-[1-(aminomethyl)-4-ethylcyclohexyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63694995
1-(aminomethyl)-4-ethyl-N,N-dimethylcyclohexan-1-amine
CID 24692899
1-(aminomethyl)-N,4,4-trimethyl-N-[(1-methylpyrrolidin-2-yl)methyl]cycloheptan-1-amine
CID 79304256
2-N-[1-(aminomethyl)-4-ethylcycloheptyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188231
1-(aminomethyl)-N-cyclopentyl-N,4-diethylcycloheptan-1-amine
CID 65088312

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The IUPAC name of 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine (CID 79308723) is 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The canonical SMILES for 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine is CCC1CCCC(CN)(N(C)CC2CCCN2CC)CC1.
What is the InChIKey of 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
The InChIKey is VPMSPGPRBYSOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-4-16-8-6-11-18(15-19,12-10-16)20(3)14-17-9-7-13-21(17)5-2/h16-17H,4-15,19H2,1-3H3.
What are the key properties of 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine?
1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-4-ethyl-N-[(1-ethylpyrrolidin-2-yl)methyl]-N-methylcycloheptan-1-amine is sourced from PubChem (CID 79308723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).