2-(cyclohexylamino)nonanenitrile

C15H28N2 — CID 54894188

IUPAC2-(cyclohexylamino)nonanenitrile
SMILESCCCCCCCC(C#N)NC1CCCCC1
InChIInChI=1S/C15H28N2/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h14-15,17H,2-12H2,1H3
InChIKeyPNCICZSYUZLPIS-UHFFFAOYSA-N
MW236.40 g/mol
LogP4.16
Rot. Bonds8

About 2-(cyclohexylamino)nonanenitrile

2-(cyclohexylamino)nonanenitrile (PubChem CID 54894188) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-(cyclohexylamino)nonanenitrile.

Molecular Properties

Compound Name2-(cyclohexylamino)nonanenitrile
PubChem CID54894188
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-(cyclohexylamino)nonanenitrile
SMILESCCCCCCCC(C#N)NC1CCCCC1
InChIInChI=1S/C15H28N2/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h14-15,17H,2-12H2,1H3
InChIKeyPNCICZSYUZLPIS-UHFFFAOYSA-N
XLogP4.16
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 54.16
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

2-(cyclopentylamino)-5-methylsulfanylpentanenitrile
CID 103089212
2-(cyclopropylamino)-4-pentoxybutanenitrile
CID 63029424
1-N'-cycloheptylheptane-1,1-diamine
CID 135361664
N-nonan-2-ylcyclohexanamine
CID 43129679
N-octan-2-ylcyclohexanamine
CID 13244945
N-decan-4-ylcyclohexanamine
CID 175237913
N-heptan-2-ylcycloheptanamine
CID 43082272
N-(2-methyldodecan-3-yl)cyclohexanamine
CID 150788922
2-(cyclopentylamino)-4-methylpentanenitrile
CID 61002564
2-(cyclopropylmethylamino)heptanenitrile
CID 60996351
2-(cyclopentylamino)-3-hydroxypropanenitrile
CID 104711189
2-(cyclohexylamino)-4,4-dimethoxybutanenitrile
CID 66269206

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)nonanenitrile?
The IUPAC name of 2-(cyclohexylamino)nonanenitrile (CID 54894188) is 2-(cyclohexylamino)nonanenitrile.
What is the SMILES notation for 2-(cyclohexylamino)nonanenitrile?
The canonical SMILES for 2-(cyclohexylamino)nonanenitrile is CCCCCCCC(C#N)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)nonanenitrile?
The InChIKey is PNCICZSYUZLPIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2/c1-2-3-4-5-7-12-15(13-16)17-14-10-8-6-9-11-14/h14-15,17H,2-12H2,1H3.
What are the key properties of 2-(cyclohexylamino)nonanenitrile?
2-(cyclohexylamino)nonanenitrile has a molecular weight of 236.40 g/mol, XLogP of 4.16, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)nonanenitrile is sourced from PubChem (CID 54894188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).