2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile

C15H27N3 — CID 62741870

IUPAC2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile
SMILESCCN1CCC(CNC2CCCCCC2C#N)C1
InChIInChI=1S/C15H27N3/c1-2-18-9-8-13(12-18)11-17-15-7-5-3-4-6-14(15)10-16/h13-15,17H,2-9,11-12H2,1H3
InChIKeyJYSKCGGGBHBSRA-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.39
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile

2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile (PubChem CID 62741870) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile
PubChem CID62741870
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile
SMILESCCN1CCC(CNC2CCCCCC2C#N)C1
InChIInChI=1S/C15H27N3/c1-2-18-9-8-13(12-18)11-17-15-7-5-3-4-6-14(15)10-16/h13-15,17H,2-9,11-12H2,1H3
InChIKeyJYSKCGGGBHBSRA-UHFFFAOYSA-N
XLogP2.39
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 60885885
trans-(1S,2S)-2-[(1-ethylpyrrolidin-3-yl)methylamino]cyclohexan-1-ol
CID 102731045
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-propan-2-ylcyclohexan-1-amine
CID 81298398
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-methyloxolan-3-amine
CID 115335792
2-(oxolan-3-ylmethylamino)cyclohexane-1-carbonitrile
CID 62742963
4-N-[(1-ethylpyrrolidin-3-yl)methyl]cyclohexane-1,4-diamine
CID 79731283
N-[(1-ethylpiperidin-3-yl)methyl]cyclopentanamine;hydrochloride
CID 115597495
N-[(1-ethylpyrrolidin-3-yl)methyl]oxan-4-amine
CID 60855683
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine
CID 81297441
N-[(1-ethylpyrrolidin-3-yl)methyl]pyrrolidin-3-amine
CID 79731365
2-(thian-2-ylmethylamino)cycloheptane-1-carbonitrile
CID 80600092
2-(3-ethylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 65039485

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile (CID 62741870) is 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile is CCN1CCC(CNC2CCCCCC2C#N)C1.
What is the InChIKey of 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile?
The InChIKey is JYSKCGGGBHBSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-2-18-9-8-13(12-18)11-17-15-7-5-3-4-6-14(15)10-16/h13-15,17H,2-9,11-12H2,1H3.
What are the key properties of 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile?
2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-3-yl)methylamino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 62741870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).