1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine

C16H33N3 — CID 65088382

IUPAC1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC1CCCC(CN)(N2CCC(N(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-14-6-5-9-16(13-17,10-7-14)19-11-8-15(12-19)18(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyWUBWHLMJNBIEHF-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.31
Rot. Bonds4

About 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine

1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 65088382) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID65088382
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCCC1CCCC(CN)(N2CCC(N(C)C)C2)CC1
InChIInChI=1S/C16H33N3/c1-4-14-6-5-9-16(13-17,10-7-14)19-11-8-15(12-19)18(2)3/h14-15H,4-13,17H2,1-3H3
InChIKeyWUBWHLMJNBIEHF-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 107429032
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
1-[1-(aminomethyl)-3-ethylcyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 64501374
1-[1-(aminomethyl)cyclopentyl]-N,N-dimethylpiperidin-4-amine
CID 43585861
1-[3-(aminomethyl)thian-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63165977
[1-(3-ethylpiperidin-1-yl)cyclooctyl]methanamine
CID 43584374
1-[1-(aminomethyl)-4-methylcycloheptyl]-N,N-diethylpyrrolidin-3-amine
CID 65085253
1-[3-(aminomethyl)-1-methylpyrrolidin-3-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63166067
1-[8-(aminomethyl)spiro[4.5]decan-8-yl]-N,N-dimethylpiperidin-3-amine
CID 114818204
[4-ethyl-1-(4-methylsulfonylpiperazin-1-yl)cycloheptyl]methanamine
CID 65088134
[1-(3,4-dihydro-1H-isoquinolin-2-yl)-4-ethylcycloheptyl]methanamine
CID 65087911
[1-[3-(methoxymethyl)pyrrolidin-1-yl]-4-propylcycloheptyl]methanamine
CID 65089250

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine (CID 65088382) is 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine is CCC1CCCC(CN)(N2CCC(N(C)C)C2)CC1.
What is the InChIKey of 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is WUBWHLMJNBIEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-4-14-6-5-9-16(13-17,10-7-14)19-11-8-15(12-19)18(2)3/h14-15H,4-13,17H2,1-3H3.
What are the key properties of 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine?
1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 267.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)-4-ethylcycloheptyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 65088382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).