N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine

C16H29N — CID 12968074

IUPACN-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine
SMILESC/C=C/CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29N/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-3,15-16H,4-14H2,1H3/b3-2+
InChIKeyGJIYNVPAEKCKKV-NSCUHMNNSA-N
MW235.41 g/mol
LogP4.53
Rot. Bonds4

About N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine

N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine (PubChem CID 12968074) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine.

Molecular Properties

Compound NameN-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine
PubChem CID12968074
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine
SMILESC/C=C/CN(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C16H29N/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-3,15-16H,4-14H2,1H3/b3-2+
InChIKeyGJIYNVPAEKCKKV-NSCUHMNNSA-N
XLogP4.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoethyl)-N-[(E)-but-2-enyl]cyclohexanamine
CID 107897735
2-[but-2-enyl(cyclopentyl)amino]acetonitrile
CID 77037861
2-[[(E)-but-2-enyl]-cyclopentylamino]acetic acid
CID 60835424
2-[[(E)-but-2-enyl]-cyclobutylamino]ethanol
CID 102676564
N-but-2-enyl-N-ethylpiperidin-3-amine
CID 77002860
N-cyclohexyl-N-(silylmethyl)cyclohexanamine
CID 123289765
N-(4-chlorobut-2-enyl)-N-ethylcyclohexanamine
CID 77051732
N,N-diethylcycloundecanamine
CID 163828609
N-[(E)-but-2-enyl]-N-propyloxan-3-amine
CID 143294392
N-(2-chloroethyl)-N-cyclobutylcycloheptanamine
CID 102861307
4-N-cycloheptyl-4-N-propylcyclohexane-1,4-diamine
CID 79111561
N-cyclohexyl-N-ethylazepan-4-amine
CID 63904813

Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine?
The IUPAC name of N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine (CID 12968074) is N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine.
What is the SMILES notation for N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine?
The canonical SMILES for N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine is C/C=C/CN(C1CCCCC1)C1CCCCC1.
What is the InChIKey of N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine?
The InChIKey is GJIYNVPAEKCKKV-NSCUHMNNSA-N. The full InChI is InChI=1S/C16H29N/c1-2-3-14-17(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h2-3,15-16H,4-14H2,1H3/b3-2+.
What are the key properties of N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine?
N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine has a molecular weight of 235.41 g/mol, XLogP of 4.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-but-2-enyl]-N-cyclohexylcyclohexanamine is sourced from PubChem (CID 12968074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).