2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

C18H31N3 — CID 79576141

IUPAC2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN(CC1CC1)C1CC1
InChIInChI=1S/C18H31N3/c1-14(2)20-18(13-19)10-3-4-16(18)9-11-21(17-7-8-17)12-15-5-6-15/h14-17,20H,3-12H2,1-2H3
InChIKeyPZPQYZPSMQJIHH-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.31
Rot. Bonds8

About 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile

2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 79576141) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID79576141
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCC(C)NC1(C#N)CCCC1CCN(CC1CC1)C1CC1
InChIInChI=1S/C18H31N3/c1-14(2)20-18(13-19)10-3-4-16(18)9-11-21(17-7-8-17)12-15-5-6-15/h14-17,20H,3-12H2,1-2H3
InChIKeyPZPQYZPSMQJIHH-UHFFFAOYSA-N
XLogP3.31
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[cyclopropyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565740
2-[2-[cyclopropyl(methyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79565732
2-[2-[cyclopropylmethyl(propyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79577792
2-[2-[cyclopropyl(ethyl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79565829
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
2-[2-[cyclopropylmethyl(propan-2-yl)amino]ethyl]-1-(ethylamino)cyclopentane-1-carbonitrile
CID 79564870
2-[2-[methyl(2-methylbutan-2-yl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79573474
1-(cyclopropylamino)-2-[2-[cyclopropylmethyl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79573105
2-[2-[cyclobutylmethyl(methyl)amino]ethyl]-1-(cyclopropylamino)cyclopentane-1-carbonitrile
CID 79573800
3-[cyclopropylmethyl(ethyl)amino]-1-(propan-2-ylamino)cyclohexane-1-carbonitrile
CID 79625000
2-(2-pentoxyethyl)-1-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 79576809
1-(ethylamino)-2-[2-[methyl(oxan-4-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79575972

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile (CID 79576141) is 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is CC(C)NC1(C#N)CCCC1CCN(CC1CC1)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is PZPQYZPSMQJIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-14(2)20-18(13-19)10-3-4-16(18)9-11-21(17-7-8-17)12-15-5-6-15/h14-17,20H,3-12H2,1-2H3.
What are the key properties of 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile?
2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 289.47 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(cyclopropylmethyl)amino]ethyl]-1-(propan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 79576141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).