1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine

C15H31NO2 — CID 112754280

IUPAC1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
SMILESCCOC1(C(N)CCCCOC)CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-4-18-15(10-7-8-13(2)12-15)14(16)9-5-6-11-17-3/h13-14H,4-12,16H2,1-3H3
InChIKeyPNBZLAKDPCNSMR-UHFFFAOYSA-N
MW257.42 g/mol
LogP3.12
Rot. Bonds8

About 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine

1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine (PubChem CID 112754280) has the molecular formula C15H31NO2 and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine.

Molecular Properties

Compound Name1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
PubChem CID112754280
Molecular FormulaC15H31NO2
Molecular Weight257.42 g/mol
Exact Mass257.24
IUPAC Name1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine
SMILESCCOC1(C(N)CCCCOC)CCCC(C)C1
InChIInChI=1S/C15H31NO2/c1-4-18-15(10-7-8-13(2)12-15)14(16)9-5-6-11-17-3/h13-14H,4-12,16H2,1-3H3
InChIKeyPNBZLAKDPCNSMR-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(1-ethoxy-3-methylcyclohexyl)-2-methoxyethanamine
CID 116768089
2-cyclopropyl-1-(1-ethoxy-3-methylcyclohexyl)ethanamine
CID 116767988
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
CID 114857240
1-(1-ethoxy-3-methylcyclohexyl)-3-methylidenepentan-1-amine
CID 116768117
1-(1-ethoxy-3-methylcyclohexyl)-2-ethylbutan-1-amine
CID 116768094
1-(1-ethoxy-3-methylcyclohexyl)-2-methoxy-N-methylethanamine
CID 116768285
(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
1-(1-ethoxy-3-methylcyclohexyl)-3-thiophen-3-ylpropan-1-amine
CID 116768130
1-(1-methoxy-3-methylcyclohexyl)hex-5-yn-1-amine
CID 116767594
1-(1-ethoxy-3-methylcyclohexyl)butan-1-ol
CID 116755188

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine?
The IUPAC name of 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine (CID 112754280) is 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine.
What is the SMILES notation for 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine?
The canonical SMILES for 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine is CCOC1(C(N)CCCCOC)CCCC(C)C1.
What is the InChIKey of 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine?
The InChIKey is PNBZLAKDPCNSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO2/c1-4-18-15(10-7-8-13(2)12-15)14(16)9-5-6-11-17-3/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine?
1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-3-methylcyclohexyl)-5-methoxypentan-1-amine is sourced from PubChem (CID 112754280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).