N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine

C12H23N — CID 79329233

IUPACN-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine
SMILESCC/C(=C/C(C)CC)CNC1CC1
InChIInChI=1S/C12H23N/c1-4-10(3)8-11(5-2)9-13-12-6-7-12/h8,10,12-13H,4-7,9H2,1-3H3/b11-8-
InChIKeyUOXMEMUFYBCINQ-FLIBITNWSA-N
MW181.32 g/mol
LogP3.12
Rot. Bonds6

About N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine

N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine (PubChem CID 79329233) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine
PubChem CID79329233
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC NameN-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine
SMILESCC/C(=C/C(C)CC)CNC1CC1
InChIInChI=1S/C12H23N/c1-4-10(3)8-11(5-2)9-13-12-6-7-12/h8,10,12-13H,4-7,9H2,1-3H3/b11-8-
InChIKeyUOXMEMUFYBCINQ-FLIBITNWSA-N
XLogP3.12
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine?
The IUPAC name of N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine (CID 79329233) is N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine.
What is the SMILES notation for N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine?
The canonical SMILES for N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine is CC/C(=C/C(C)CC)CNC1CC1.
What is the InChIKey of N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine?
The InChIKey is UOXMEMUFYBCINQ-FLIBITNWSA-N. The full InChI is InChI=1S/C12H23N/c1-4-10(3)8-11(5-2)9-13-12-6-7-12/h8,10,12-13H,4-7,9H2,1-3H3/b11-8-.
What are the key properties of N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine?
N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine has a molecular weight of 181.32 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-ethyl-4-methylhex-2-enyl]cyclopropanamine is sourced from PubChem (CID 79329233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).