2-(octan-2-ylamino)cyclopentane-1-carbonitrile

C14H26N2 — CID 62743523

IUPAC2-(octan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCCCCC(C)NC1CCCC1C#N
InChIInChI=1S/C14H26N2/c1-3-4-5-6-8-12(2)16-14-10-7-9-13(14)11-15/h12-14,16H,3-10H2,1-2H3
InChIKeyQVBRWGCJVVTQQT-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.63
Rot. Bonds7

About 2-(octan-2-ylamino)cyclopentane-1-carbonitrile

2-(octan-2-ylamino)cyclopentane-1-carbonitrile (PubChem CID 62743523) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(octan-2-ylamino)cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-(octan-2-ylamino)cyclopentane-1-carbonitrile
PubChem CID62743523
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(octan-2-ylamino)cyclopentane-1-carbonitrile
SMILESCCCCCCC(C)NC1CCCC1C#N
InChIInChI=1S/C14H26N2/c1-3-4-5-6-8-12(2)16-14-10-7-9-13(14)11-15/h12-14,16H,3-10H2,1-2H3
InChIKeyQVBRWGCJVVTQQT-UHFFFAOYSA-N
XLogP3.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

cis-(1S,2S)-2-[[(2S)-butan-2-yl]amino]cyclopentane-1-carbonitrile
CID 129368082
2-[5-(diethylamino)pentan-2-ylamino]cyclohexane-1-carbonitrile
CID 62741280
2-[4-(dimethylamino)butan-2-ylamino]cyclopentane-1-carbonitrile
CID 62741710
cis-(1S,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580452
trans-(1R,2S)-2-(propan-2-ylamino)cyclopentane-1-carbonitrile
CID 94580454
[2-(octan-2-ylamino)cyclopentyl]methanol
CID 115723808
2-(1-methoxypropan-2-ylamino)cyclopentane-1-carbonitrile
CID 62741099
2-(4-methoxybutan-2-ylamino)cycloheptane-1-carbonitrile
CID 64605253
trans-(1R,2R)-2-[[(2S)-heptan-2-yl]amino]cyclohexan-1-ol
CID 124618869
2-(1-ethoxypropan-2-ylamino)cycloheptane-1-carbonitrile
CID 62742631
2-(pentan-3-ylamino)cyclohexane-1-carbonitrile
CID 62742381
N-octan-2-ylcyclohexanamine
CID 13244945

Frequently Asked Questions

What is the IUPAC name of 2-(octan-2-ylamino)cyclopentane-1-carbonitrile?
The IUPAC name of 2-(octan-2-ylamino)cyclopentane-1-carbonitrile (CID 62743523) is 2-(octan-2-ylamino)cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-(octan-2-ylamino)cyclopentane-1-carbonitrile?
The canonical SMILES for 2-(octan-2-ylamino)cyclopentane-1-carbonitrile is CCCCCCC(C)NC1CCCC1C#N.
What is the InChIKey of 2-(octan-2-ylamino)cyclopentane-1-carbonitrile?
The InChIKey is QVBRWGCJVVTQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-3-4-5-6-8-12(2)16-14-10-7-9-13(14)11-15/h12-14,16H,3-10H2,1-2H3.
What are the key properties of 2-(octan-2-ylamino)cyclopentane-1-carbonitrile?
2-(octan-2-ylamino)cyclopentane-1-carbonitrile has a molecular weight of 222.38 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(octan-2-ylamino)cyclopentane-1-carbonitrile is sourced from PubChem (CID 62743523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).