1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone

C14H26N2O — CID 113265851

IUPAC1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
SMILESNCC1CCCN1C(=O)CC1CCCCCC1
InChIInChI=1S/C14H26N2O/c15-11-13-8-5-9-16(13)14(17)10-12-6-3-1-2-4-7-12/h12-13H,1-11,15H2
InChIKeyODEBUCNLNUBRSG-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.30
Rot. Bonds3

About 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone

1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone (PubChem CID 113265851) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone.

Molecular Properties

Compound Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
PubChem CID113265851
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone
SMILESNCC1CCCN1C(=O)CC1CCCCCC1
InChIInChI=1S/C14H26N2O/c15-11-13-8-5-9-16(13)14(17)10-12-6-3-1-2-4-7-12/h12-13H,1-11,15H2
InChIKeyODEBUCNLNUBRSG-UHFFFAOYSA-N
XLogP2.30
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3-aminopropyl)pyrrolidin-1-yl]-2-cyclohexylethanone
CID 55241586
2-[1-(2-cyclopentylacetyl)pyrrolidin-2-yl]acetic acid
CID 61370257
1-[(2S,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-2-cyclopentylethanone
CID 95357695
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-(oxolan-3-yl)ethanone;hydrochloride
CID 119632044
1-[1-(2-cycloheptylacetyl)azepan-2-yl]propan-2-one
CID 114457934
1-[1-(2-cyclohexylacetyl)azepan-2-yl]propan-2-one
CID 79552906
2-cyclopentyl-1-[2-(methylaminomethyl)pyrrolidin-1-yl]ethanone
CID 81425480
[2-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone;hydrochloride
CID 119261191
1-[1-(2-cyclopropylacetyl)azepan-2-yl]propan-2-one
CID 79553061
N-[4-[2-(aminomethyl)pyrrolidine-1-carbonyl]cyclohexyl]-2-cyclohexylacetamide
CID 119632663
N-[1-[2-(aminomethyl)pyrrolidin-1-yl]-1-oxopropan-2-yl]-2-cyclohexylacetamide;hydrochloride
CID 119634129
1-[4-(2-aminoacetyl)piperazin-1-yl]-2-cyclohexylethanone
CID 119313911

Frequently Asked Questions

What is the IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone?
The IUPAC name of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone (CID 113265851) is 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone.
What is the SMILES notation for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone?
The canonical SMILES for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone is NCC1CCCN1C(=O)CC1CCCCCC1.
What is the InChIKey of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone?
The InChIKey is ODEBUCNLNUBRSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c15-11-13-8-5-9-16(13)14(17)10-12-6-3-1-2-4-7-12/h12-13H,1-11,15H2.
What are the key properties of 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone?
1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone has a molecular weight of 238.37 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(aminomethyl)pyrrolidin-1-yl]-2-cycloheptylethanone is sourced from PubChem (CID 113265851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).