(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine

C15H29NO2 — CID 116765339

IUPAC(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCC(C)C2)CCOCC1
InChIInChI=1S/C15H29NO2/c1-3-18-15(7-9-17-10-8-15)14(16)13-6-4-5-12(2)11-13/h12-14H,3-11,16H2,1-2H3
InChIKeyODRQHVZDXSISIE-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.73
Rot. Bonds4

About (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine

(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine (PubChem CID 116765339) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
PubChem CID116765339
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCC(C)C2)CCOCC1
InChIInChI=1S/C15H29NO2/c1-3-18-15(7-9-17-10-8-15)14(16)13-6-4-5-12(2)11-13/h12-14H,3-11,16H2,1-2H3
InChIKeyODRQHVZDXSISIE-UHFFFAOYSA-N
XLogP2.73
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
CID 116765468
(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
CID 116767018
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
(1-ethoxy-3-methylcyclohexyl)-(oxolan-3-yl)methanamine
CID 116768060
cycloheptyl-(1-ethoxy-3-methylcyclohexyl)methanamine
CID 116768145
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116766990
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
(1-ethoxy-4-methylcyclohexyl)-(5-oxaspiro[3.5]nonan-8-yl)methanamine
CID 116766870
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
(1-ethoxy-3-methylcyclohexyl)-(4-methylcyclohexyl)methanamine
CID 116768084

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine (CID 116765339) is (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine is CCOC1(C(N)C2CCCC(C)C2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine?
The InChIKey is ODRQHVZDXSISIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-18-15(7-9-17-10-8-15)14(16)13-6-4-5-12(2)11-13/h12-14H,3-11,16H2,1-2H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine?
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine has a molecular weight of 255.40 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 116765339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).