1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine

C16H31NO — CID 116771895

IUPAC1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)C(OC)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-5-11-17-15(12-13(2)3)16(18-4)14-9-7-6-8-10-14/h12,14-17H,5-11H2,1-4H3
InChIKeyILFPIIRNSHHJEW-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.92
Rot. Bonds7

About 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine

1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 116771895) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine
PubChem CID116771895
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)C(OC)C1CCCCC1
InChIInChI=1S/C16H31NO/c1-5-11-17-15(12-13(2)3)16(18-4)14-9-7-6-8-10-14/h12,14-17H,5-11H2,1-4H3
InChIKeyILFPIIRNSHHJEW-UHFFFAOYSA-N
XLogP3.92
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.92
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

1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
CID 116772492
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906
N-[2-cyclohexyl-2-methoxy-1-(oxan-4-yl)ethyl]propan-1-amine
CID 116771903
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-amine
CID 79189738
1-cyclohexyl-1-methoxy-4-methyl-N-propylheptan-2-amine
CID 116771857
1-cyclohexyl-1-methoxy-6-methyl-N-propylheptan-2-amine
CID 116771907
1-cyclopentyl-2-methoxy-N-propylbutan-1-amine
CID 116716165
1-cyclohexyl-1-methoxy-N-propylhept-5-yn-2-amine
CID 116771813
N-[2-cyclohexyl-1-(furan-3-yl)-2-methoxyethyl]propan-1-amine
CID 116771848
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclohexyl-1-methoxy-5-methylsulfonyl-N-propylpentan-2-amine
CID 116771861

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine (CID 116771895) is 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)C(OC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is ILFPIIRNSHHJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-5-11-17-15(12-13(2)3)16(18-4)14-9-7-6-8-10-14/h12,14-17H,5-11H2,1-4H3.
What are the key properties of 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine?
1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 253.43 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-methoxy-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 116771895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).