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

C17H33NO — CID 116772492

IUPAC1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)C(OCC)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-5-12-18-16(13-14(3)4)17(19-6-2)15-10-8-7-9-11-15/h13,15-18H,5-12H2,1-4H3
InChIKeyMLDCZFMAEYUGRW-UHFFFAOYSA-N
MW267.46 g/mol
LogP4.31
Rot. Bonds8

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

1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine (PubChem CID 116772492) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
PubChem CID116772492
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine
SMILESCCCNC(C=C(C)C)C(OCC)C1CCCCC1
InChIInChI=1S/C17H33NO/c1-5-12-18-16(13-14(3)4)17(19-6-2)15-10-8-7-9-11-15/h13,15-18H,5-12H2,1-4H3
InChIKeyMLDCZFMAEYUGRW-UHFFFAOYSA-N
XLogP4.31
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 54.31
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-methoxy-4-methyl-N-propylpent-3-en-2-amine
CID 116771895
1-cyclohexyl-1-ethoxy-N-propylheptan-2-amine
CID 116772446
1-cyclohexyl-1-ethoxy-3-methyl-N-propylhexan-2-amine
CID 107896952
1-cyclohexyl-1-ethoxy-N-propylhex-4-yn-2-amine
CID 116772502
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
1-cycloheptyl-2-ethoxy-N-propylpentan-1-amine
CID 116718387
N-[cyclohexyl(cyclooctyl)methyl]propan-1-amine
CID 80609458
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-amine
CID 79189738
1-cyclohexyl-1-ethoxy-3-phenyl-N-propylpropan-2-amine
CID 116772454
1-cyclopropyl-1-ethoxy-4-methyl-N-propylpent-4-en-2-amine
CID 116723864
(1-cyclohexyl-3-cyclopentyl-1-ethoxypropan-2-yl)hydrazine
CID 105278814
N-(2-cyclohexyl-1-cyclopropyl-2-methoxyethyl)propan-1-amine
CID 116771906

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine?
The IUPAC name of 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine (CID 116772492) is 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine.
What is the SMILES notation for 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine?
The canonical SMILES for 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine is CCCNC(C=C(C)C)C(OCC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine?
The InChIKey is MLDCZFMAEYUGRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-5-12-18-16(13-14(3)4)17(19-6-2)15-10-8-7-9-11-15/h13,15-18H,5-12H2,1-4H3.
What are the key properties of 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine?
1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine has a molecular weight of 267.46 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-1-ethoxy-4-methyl-N-propylpent-3-en-2-amine is sourced from PubChem (CID 116772492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).