2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine

C15H29NO — CID 104881857

IUPAC2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine
SMILESCCNCC(=CC(C)COC)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-4-16-11-15(10-13(2)12-17-3)14-8-6-5-7-9-14/h10,13-14,16H,4-9,11-12H2,1-3H3
InChIKeyWLQBVFOSARXTPE-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.39
Rot. Bonds7

About 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine

2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine (PubChem CID 104881857) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine.

Molecular Properties

Compound Name2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine
PubChem CID104881857
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine
SMILESCCNCC(=CC(C)COC)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-4-16-11-15(10-13(2)12-17-3)14-8-6-5-7-9-14/h10,13-14,16H,4-9,11-12H2,1-3H3
InChIKeyWLQBVFOSARXTPE-UHFFFAOYSA-N
XLogP3.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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2-Methoxy-5-(piperidin-4-ylmethyl)-1,2,3,6-tetrahydropyridine
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CID 170315466
N-[[(1R)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674377
N-[[(1S)-cyclohex-3-en-1-yl]methyl]-3-methoxypropan-1-amine
CID 28674381
N-(cyclohex-3-en-1-ylmethyl)-3-ethoxypropan-1-amine
CID 43180696
[(Cyclohex-3-en-1-yl)methyl](3-methoxypropyl)amine
CID 43182321
N-(cyclohex-3-en-1-ylmethyl)-3-(2-methylpropoxy)propan-1-amine
CID 43182584
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CID 61783425

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine?
The IUPAC name of 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine (CID 104881857) is 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine.
What is the SMILES notation for 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine?
The canonical SMILES for 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine is CCNCC(=CC(C)COC)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine?
The InChIKey is WLQBVFOSARXTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-4-16-11-15(10-13(2)12-17-3)14-8-6-5-7-9-14/h10,13-14,16H,4-9,11-12H2,1-3H3.
What are the key properties of 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine?
2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.39, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-ethyl-5-methoxy-4-methylpent-2-en-1-amine is sourced from PubChem (CID 104881857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).