N-[(E)-2-ethylbut-2-enyl]cyclohexanamine

C12H23N — CID 134926768

IUPACN-[(E)-2-ethylbut-2-enyl]cyclohexanamine
SMILESC/C=C(\CC)CNC1CCCCC1
InChIInChI=1S/C12H23N/c1-3-11(4-2)10-13-12-8-6-5-7-9-12/h3,12-13H,4-10H2,1-2H3/b11-3+
InChIKeyAPLYTGPAJCQDIT-QDEBKDIKSA-N
MW181.32 g/mol
LogP3.27
Rot. Bonds4

About N-[(E)-2-ethylbut-2-enyl]cyclohexanamine

N-[(E)-2-ethylbut-2-enyl]cyclohexanamine (PubChem CID 134926768) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(E)-2-ethylbut-2-enyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(E)-2-ethylbut-2-enyl]cyclohexanamine
PubChem CID134926768
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(E)-2-ethylbut-2-enyl]cyclohexanamine
SMILESC/C=C(\CC)CNC1CCCCC1
InChIInChI=1S/C12H23N/c1-3-11(4-2)10-13-12-8-6-5-7-9-12/h3,12-13H,4-10H2,1-2H3/b11-3+
InChIKeyAPLYTGPAJCQDIT-QDEBKDIKSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylidenebutyl)cycloheptanamine
CID 66045688
N-(3-methyl-2-methylidenebut-3-enyl)cyclohexanamine
CID 24974469
N-[(3Z,5Z)-5-methyl-2-methylidenehepta-3,5-dienyl]cyclohexanamine
CID 170104744
N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine
CID 79329233
N-(3-chloro-2-methylprop-2-enyl)cycloheptanamine
CID 106437444
N-ethylcyclodecanamine
CID 148546213
N-ethylcyclooctanamine
CID 13112621
N-ethylcyclohexanamine;hydroxylamine
CID 142330095
N-[2-[(4-methylcyclohexyl)methylidene]butyl]cyclopropanamine
CID 115278098
2-(cyclododecylamino)-N-ethylacetamide
CID 43399943
2-(cyclooctylamino)-N-ethylacetamide
CID 28575760
N-ethylcyclopentanamine;methanol
CID 161343027

Frequently Asked Questions

What is the IUPAC name of N-[(E)-2-ethylbut-2-enyl]cyclohexanamine?
The IUPAC name of N-[(E)-2-ethylbut-2-enyl]cyclohexanamine (CID 134926768) is N-[(E)-2-ethylbut-2-enyl]cyclohexanamine.
What is the SMILES notation for N-[(E)-2-ethylbut-2-enyl]cyclohexanamine?
The canonical SMILES for N-[(E)-2-ethylbut-2-enyl]cyclohexanamine is C/C=C(\CC)CNC1CCCCC1.
What is the InChIKey of N-[(E)-2-ethylbut-2-enyl]cyclohexanamine?
The InChIKey is APLYTGPAJCQDIT-QDEBKDIKSA-N. The full InChI is InChI=1S/C12H23N/c1-3-11(4-2)10-13-12-8-6-5-7-9-12/h3,12-13H,4-10H2,1-2H3/b11-3+.
What are the key properties of N-[(E)-2-ethylbut-2-enyl]cyclohexanamine?
N-[(E)-2-ethylbut-2-enyl]cyclohexanamine has a molecular weight of 181.32 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-2-ethylbut-2-enyl]cyclohexanamine is sourced from PubChem (CID 134926768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).