2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile

C14H24N2 — CID 63956187

IUPAC2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile
SMILESCCN(CC1CC1)C1CCCCCC1C#N
InChIInChI=1S/C14H24N2/c1-2-16(11-12-8-9-12)14-7-5-3-4-6-13(14)10-15/h12-14H,2-9,11H2,1H3
InChIKeyUXHKQEZGXKMUSD-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.19
Rot. Bonds4

About 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile

2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile (PubChem CID 63956187) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile
PubChem CID63956187
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile
SMILESCCN(CC1CC1)C1CCCCCC1C#N
InChIInChI=1S/C14H24N2/c1-2-16(11-12-8-9-12)14-7-5-3-4-6-13(14)10-15/h12-14H,2-9,11H2,1H3
InChIKeyUXHKQEZGXKMUSD-UHFFFAOYSA-N
XLogP3.19
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclopropylmethyl(ethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 63955782
2-[cyclopropylmethyl(propan-2-yl)amino]cycloheptane-1-carbonitrile
CID 54999379
2-[2-ethoxyethyl(ethyl)amino]cycloheptane-1-carbonitrile
CID 55226719
4-tert-butyl-2-[cyclopropylmethyl(ethyl)amino]cyclohexane-1-carbonitrile
CID 63956800
2-[cyclopropyl(cyclopropylmethyl)amino]cyclohexane-1-carbonitrile
CID 64521146
2-(dimethylamino)cycloheptane-1-carbonitrile
CID 43291764
2-[(2-cyanocycloheptyl)-methylamino]-N,N-diethylacetamide
CID 61451215
2-[cyclopropyl(ethyl)amino]cyclopentane-1-carbonitrile
CID 43291906
2-[(2-cyanocyclohexyl)-methylamino]-N,N-diethylacetamide
CID 54946712
2-[cyclopropylmethyl(methyl)amino]-4-ethylcyclohexane-1-carbonitrile
CID 55026446
2-[cyclobutylmethyl(methyl)amino]-4-propylcyclohexane-1-carbonitrile
CID 62861497
2-N-(cyclobutylmethyl)-2-N-ethyl-1-N-propylcyclohexane-1,2-diamine
CID 107397961

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile (CID 63956187) is 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile is CCN(CC1CC1)C1CCCCCC1C#N.
What is the InChIKey of 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile?
The InChIKey is UXHKQEZGXKMUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-2-16(11-12-8-9-12)14-7-5-3-4-6-13(14)10-15/h12-14H,2-9,11H2,1H3.
What are the key properties of 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile?
2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile has a molecular weight of 220.36 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropylmethyl(ethyl)amino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 63956187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).