(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine

C18H35N — CID 134999587

IUPAC(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
SMILESCCC/C=C(\CCC)C(NCCC)C1CCCCC1
InChIInChI=1S/C18H35N/c1-4-7-12-16(11-5-2)18(19-15-6-3)17-13-9-8-10-14-17/h12,17-19H,4-11,13-15H2,1-3H3/b16-12+
InChIKeyHEXFPZYEHSWAFJ-FOWTUZBSSA-N
MW265.48 g/mol
LogP5.46
Rot. Bonds9

About (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine

(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine (PubChem CID 134999587) has the molecular formula C18H35N and a molecular weight of 265.48 g/mol. Its IUPAC name is (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
PubChem CID134999587
Molecular FormulaC18H35N
Molecular Weight265.48 g/mol
Exact Mass265.28
IUPAC Name(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
SMILESCCC/C=C(\CCC)C(NCCC)C1CCCCC1
InChIInChI=1S/C18H35N/c1-4-7-12-16(11-5-2)18(19-15-6-3)17-13-9-8-10-14-17/h12,17-19H,4-11,13-15H2,1-3H3/b16-12+
InChIKeyHEXFPZYEHSWAFJ-FOWTUZBSSA-N
XLogP5.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500265.48
LogP ≤ 55.46
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 (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine?
The IUPAC name of (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine (CID 134999587) is (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine.
What is the SMILES notation for (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine?
The canonical SMILES for (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine is CCC/C=C(\CCC)C(NCCC)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine?
The InChIKey is HEXFPZYEHSWAFJ-FOWTUZBSSA-N. The full InChI is InChI=1S/C18H35N/c1-4-7-12-16(11-5-2)18(19-15-6-3)17-13-9-8-10-14-17/h12,17-19H,4-11,13-15H2,1-3H3/b16-12+.
What are the key properties of (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine?
(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine has a molecular weight of 265.48 g/mol, XLogP of 5.46, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine is sourced from PubChem (CID 134999587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).