N-but-3-enyl-2-cyclohexylcyclohexan-1-amine

C16H29N — CID 113465420

IUPACN-but-3-enyl-2-cyclohexylcyclohexan-1-amine
SMILESC=CCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H29N/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h2,14-17H,1,3-13H2
InChIKeyWXXKXOJWXFPAPW-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.29
Rot. Bonds5

About N-but-3-enyl-2-cyclohexylcyclohexan-1-amine

N-but-3-enyl-2-cyclohexylcyclohexan-1-amine (PubChem CID 113465420) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-but-3-enyl-2-cyclohexylcyclohexan-1-amine.

Molecular Properties

Compound NameN-but-3-enyl-2-cyclohexylcyclohexan-1-amine
PubChem CID113465420
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-but-3-enyl-2-cyclohexylcyclohexan-1-amine
SMILESC=CCCNC1CCCCC1C1CCCCC1
InChIInChI=1S/C16H29N/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h2,14-17H,1,3-13H2
InChIKeyWXXKXOJWXFPAPW-UHFFFAOYSA-N
XLogP4.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-cyclohexylcyclohexyl)ethane-1,2-diamine
CID 60889120
N-(cyclodecylmethyl)-2-cycloundecylcyclohexan-1-amine
CID 146209039
2-cyclohexyl-N-(3-methylsulfanylpropyl)cyclohexan-1-amine
CID 63983395
2-cyclohexyl-N-[2-(cyclopenten-1-yl)ethyl]cyclohexan-1-amine
CID 106169105
2-cyclohexyl-N-(2-methylpropyl)cyclohexan-1-amine
CID 43222835
N-(2-bromoprop-2-enyl)-2-cyclohexylcyclohexan-1-amine
CID 113464984
2-cyclohexyl-N-(3-methylbut-2-enyl)cyclohexan-1-amine
CID 106180008
2-cyclohexyl-N-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 63452484
N-[2-[(2-cyclohexylcyclohexyl)amino]ethyl]-2-methylpropanamide
CID 43223719
3-[2-[(2-cyclohexylcyclohexyl)amino]ethylsulfanyl]propan-1-ol
CID 106309376
(2R)-1-[(2-cyclohexylcyclohexyl)amino]propan-2-ol
CID 113349396
N-(2-cyclotridecylcycloheptyl)cyclotridecanamine
CID 156542642

Frequently Asked Questions

What is the IUPAC name of N-but-3-enyl-2-cyclohexylcyclohexan-1-amine?
The IUPAC name of N-but-3-enyl-2-cyclohexylcyclohexan-1-amine (CID 113465420) is N-but-3-enyl-2-cyclohexylcyclohexan-1-amine.
What is the SMILES notation for N-but-3-enyl-2-cyclohexylcyclohexan-1-amine?
The canonical SMILES for N-but-3-enyl-2-cyclohexylcyclohexan-1-amine is C=CCCNC1CCCCC1C1CCCCC1.
What is the InChIKey of N-but-3-enyl-2-cyclohexylcyclohexan-1-amine?
The InChIKey is WXXKXOJWXFPAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-2-3-13-17-16-12-8-7-11-15(16)14-9-5-4-6-10-14/h2,14-17H,1,3-13H2.
What are the key properties of N-but-3-enyl-2-cyclohexylcyclohexan-1-amine?
N-but-3-enyl-2-cyclohexylcyclohexan-1-amine has a molecular weight of 235.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-enyl-2-cyclohexylcyclohexan-1-amine is sourced from PubChem (CID 113465420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).