2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile

C15H27N3 — CID 114133401

IUPAC2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile
SMILESCC(CNC1CCCCCC1C#N)N(C)C1CC1
InChIInChI=1S/C15H27N3/c1-12(18(2)14-8-9-14)11-17-15-7-5-3-4-6-13(15)10-16/h12-15,17H,3-9,11H2,1-2H3
InChIKeyHGMLZABITHTXHQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP2.53
Rot. Bonds5

About 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile

2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile (PubChem CID 114133401) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile
PubChem CID114133401
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile
SMILESCC(CNC1CCCCCC1C#N)N(C)C1CC1
InChIInChI=1S/C15H27N3/c1-12(18(2)14-8-9-14)11-17-15-7-5-3-4-6-13(15)10-16/h12-15,17H,3-9,11H2,1-2H3
InChIKeyHGMLZABITHTXHQ-UHFFFAOYSA-N
XLogP2.53
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-hydroxypropylamino)cycloheptane-1-carbonitrile
CID 62741297
2-[(3-methyl-2-propan-2-ylbutyl)amino]cycloheptane-1-carbonitrile
CID 102905558
2-(2-methylpropylamino)cyclopentane-1-carbonitrile
CID 62742196
2-[(3-ethyl-2-hydroxypentyl)amino]cyclohexane-1-carbonitrile
CID 106285223
1-N-cyclohexyl-2-N-methyl-2-N-(4-methylcyclohexyl)propane-1,2-diamine
CID 62567826
2-(2-phenylpropylamino)cycloheptane-1-carbonitrile
CID 104591468
2-(2-methylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 62742422
2-N-cyclopropyl-2-N-methyl-1-N-(2-methyloxolan-3-yl)propane-1,2-diamine
CID 115751304
2-(2-aminoethylamino)cycloheptane-1-carbonitrile
CID 62742996
2-(3-ethylpentan-3-ylamino)cycloheptane-1-carbonitrile
CID 65039485
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381
2-(3-methylbutan-2-ylamino)cycloheptane-1-carbonitrile
CID 62743028

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile?
The IUPAC name of 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile (CID 114133401) is 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile.
What is the SMILES notation for 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile?
The canonical SMILES for 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile is CC(CNC1CCCCCC1C#N)N(C)C1CC1.
What is the InChIKey of 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile?
The InChIKey is HGMLZABITHTXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-12(18(2)14-8-9-14)11-17-15-7-5-3-4-6-13(15)10-16/h12-15,17H,3-9,11H2,1-2H3.
What are the key properties of 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile?
2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile has a molecular weight of 249.40 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclopropyl(methyl)amino]propylamino]cycloheptane-1-carbonitrile is sourced from PubChem (CID 114133401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).