1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile

C14H27N3 — CID 79565823

IUPAC1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCC(C)N(CC)CCC1CCCC1(N)C#N
InChIInChI=1S/C14H27N3/c1-4-12(3)17(5-2)10-8-13-7-6-9-14(13,16)11-15/h12-13H,4-10,16H2,1-3H3
InChIKeySUTNXMQWZKNMSY-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.52
Rot. Bonds6

About 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile

1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile (PubChem CID 79565823) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
PubChem CID79565823
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile
SMILESCCC(C)N(CC)CCC1CCCC1(N)C#N
InChIInChI=1S/C14H27N3/c1-4-12(3)17(5-2)10-8-13-7-6-9-14(13,16)11-15/h12-13H,4-10,16H2,1-3H3
InChIKeySUTNXMQWZKNMSY-UHFFFAOYSA-N
XLogP2.52
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-amino-2-[2-[ethyl(2-methylpropyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565336
1-amino-2-[2-[1-cyclopropylethyl(methyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566124
1-amino-2-[2-[2-(dimethylamino)ethyl-propylamino]ethyl]cyclopentane-1-carbonitrile
CID 79573307
1-amino-2-[2-[methyl-[(2-methylcyclopropyl)methyl]amino]ethyl]cyclopentane-1-carbonitrile
CID 79572666
1-amino-2-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79565471
1-amino-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethyl]cyclopentane-1-carbonitrile
CID 79575827
1-amino-2-[2-(2-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 103284836
1-amino-2-[2-(4-methylpentoxy)ethyl]cyclopentane-1-carbonitrile
CID 79572031
1-(propan-2-ylamino)-2-[2-[propan-2-yl(propyl)amino]ethyl]cyclopentane-1-carbonitrile
CID 79566113
1-amino-2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]cyclopentane-1-carbonitrile
CID 113427255
1-amino-2-(2-cyclopentyloxyethyl)cyclopentane-1-carbonitrile
CID 79572377
1-amino-2-[2-(4-propan-2-ylphenoxy)ethyl]cyclopentane-1-carbonitrile
CID 79576891

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The IUPAC name of 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile (CID 79565823) is 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile.
What is the SMILES notation for 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The canonical SMILES for 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile is CCC(C)N(CC)CCC1CCCC1(N)C#N.
What is the InChIKey of 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile?
The InChIKey is SUTNXMQWZKNMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-4-12(3)17(5-2)10-8-13-7-6-9-14(13,16)11-15/h12-13H,4-10,16H2,1-3H3.
What are the key properties of 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile?
1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile has a molecular weight of 237.39 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-[2-[butan-2-yl(ethyl)amino]ethyl]cyclopentane-1-carbonitrile is sourced from PubChem (CID 79565823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).