(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine

C20H39N — CID 101243485

IUPAC(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine
SMILESCCCNC(/C(CCC)=C(\CC)CCC)C1CCCCC1
InChIInChI=1S/C20H39N/c1-5-12-17(8-4)19(13-6-2)20(21-16-7-3)18-14-10-9-11-15-18/h18,20-21H,5-16H2,1-4H3/b19-17+
InChIKeyNKWBQRBQKFPUPL-HTXNQAPBSA-N
MW293.54 g/mol
LogP6.24
Rot. Bonds10

About (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine

(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine (PubChem CID 101243485) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine.

Molecular Properties

Compound Name(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine
PubChem CID101243485
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine
SMILESCCCNC(/C(CCC)=C(\CC)CCC)C1CCCCC1
InChIInChI=1S/C20H39N/c1-5-12-17(8-4)19(13-6-2)20(21-16-7-3)18-14-10-9-11-15-18/h18,20-21H,5-16H2,1-4H3/b19-17+
InChIKeyNKWBQRBQKFPUPL-HTXNQAPBSA-N
XLogP6.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 56.24
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

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(E)-1-cyclohexyl-N,2-dipropylhex-2-en-1-amine
CID 134999587
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CID 135056911
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CID 106656735
N-[cycloocten-1-yl-(4,4-difluorocyclohexyl)methyl]propan-1-amine
CID 106656859
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Frequently Asked Questions

What is the IUPAC name of (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine?
The IUPAC name of (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine (CID 101243485) is (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine.
What is the SMILES notation for (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine?
The canonical SMILES for (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine is CCCNC(/C(CCC)=C(\CC)CCC)C1CCCCC1.
What is the InChIKey of (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine?
The InChIKey is NKWBQRBQKFPUPL-HTXNQAPBSA-N. The full InChI is InChI=1S/C20H39N/c1-5-12-17(8-4)19(13-6-2)20(21-16-7-3)18-14-10-9-11-15-18/h18,20-21H,5-16H2,1-4H3/b19-17+.
What are the key properties of (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine?
(E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine has a molecular weight of 293.54 g/mol, XLogP of 6.24, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-cyclohexyl-3-ethyl-N,2-dipropylhex-2-en-1-amine is sourced from PubChem (CID 101243485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).