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

C16H31NO2 — CID 116765468

IUPAC(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCC(CC)C2)CCOCC1
InChIInChI=1S/C16H31NO2/c1-3-13-6-5-7-14(12-13)15(17)16(19-4-2)8-10-18-11-9-16/h13-15H,3-12,17H2,1-2H3
InChIKeyCWUUYFLTFSMFLO-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.12
Rot. Bonds5

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

(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine (PubChem CID 116765468) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine.

Molecular Properties

Compound Name(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
PubChem CID116765468
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2CCCC(CC)C2)CCOCC1
InChIInChI=1S/C16H31NO2/c1-3-13-6-5-7-14(12-13)15(17)16(19-4-2)8-10-18-11-9-16/h13-15H,3-12,17H2,1-2H3
InChIKeyCWUUYFLTFSMFLO-UHFFFAOYSA-N
XLogP3.12
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1-ethoxy-4-methylcyclohexyl)-(3-ethylcyclohexyl)methanamine
CID 116767018
(4-ethoxyoxan-4-yl)-(3-methylcyclohexyl)methanamine
CID 116765339
cyclopentyl-(4-ethoxyoxan-4-yl)methanamine
CID 116765524
(3-ethylcyclohexyl)-(1-methoxycyclobutyl)methanamine
CID 116714053
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
(3,4-dimethylcyclohexyl)-(1-ethoxycyclopentyl)methanamine
CID 116761764
cyclopentyl-(4-methoxyoxan-4-yl)methanamine
CID 116764544
[(4-ethoxyoxan-4-yl)-(oxan-4-yl)methyl]hydrazine
CID 105276815
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050
(4-ethoxyoxan-4-yl)-(3-methylsulfonylcyclohexyl)methanol
CID 116754107
(1-ethoxycyclohexyl)-(6-oxaspiro[4.5]decan-9-yl)methanamine
CID 116763566

Frequently Asked Questions

What is the IUPAC name of (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine?
The IUPAC name of (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine (CID 116765468) is (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine.
What is the SMILES notation for (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine?
The canonical SMILES for (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine is CCOC1(C(N)C2CCCC(CC)C2)CCOCC1.
What is the InChIKey of (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine?
The InChIKey is CWUUYFLTFSMFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-3-13-6-5-7-14(12-13)15(17)16(19-4-2)8-10-18-11-9-16/h13-15H,3-12,17H2,1-2H3.
What are the key properties of (4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine?
(4-ethoxyoxan-4-yl)-(3-ethylcyclohexyl)methanamine has a molecular weight of 269.43 g/mol, XLogP of 3.12, 5 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-ethylcyclohexyl)methanamine is sourced from PubChem (CID 116765468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).