1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine

C15H29NO — CID 116768117

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H29NO/c1-5-12(3)10-14(16)15(17-6-2)9-7-8-13(4)11-15/h13-14H,3,5-11,16H2,1-2,4H3
InChIKeyVLCNPKPYNVIVHX-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.66
Rot. Bonds6

About 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine

1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine (PubChem CID 116768117) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
PubChem CID116768117
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
SMILESC=C(CC)CC(N)C1(OCC)CCCC(C)C1
InChIInChI=1S/C15H29NO/c1-5-12(3)10-14(16)15(17-6-2)9-7-8-13(4)11-15/h13-14H,3,5-11,16H2,1-2,4H3
InChIKeyVLCNPKPYNVIVHX-UHFFFAOYSA-N
XLogP3.66
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.66
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

2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
[1-(1-methoxy-3-methylcyclohexyl)-3-methylidenepentyl]hydrazine
CID 105277608
1-(1-methoxy-3-methylcyclohexyl)-3-methylbut-3-en-1-amine
CID 116767522
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
CID 112754280
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
1-(1-ethoxy-3-methylcyclohexyl)-2-phenylethanamine
CID 116768003
cyclopropyl-(1-ethoxy-3-methylcyclohexyl)methanol
CID 116755285
1-(1-ethoxy-3-methylcyclohexyl)-2,2-dimethylpropan-1-ol
CID 116755351
1-(1-ethoxy-3-methylcyclohexyl)-2-methylpropan-1-ol
CID 116755202

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine (CID 116768117) is 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine is C=C(CC)CC(N)C1(OCC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine?
The InChIKey is VLCNPKPYNVIVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-12(3)10-14(16)15(17-6-2)9-7-8-13(4)11-15/h13-14H,3,5-11,16H2,1-2,4H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine?
1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine is sourced from PubChem (CID 116768117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).