ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine

C13H29NO2 — CID 144600556

IUPACethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
SMILESCC(C)CCN(C)C1CCOCC1.CCO
InChIInChI=1S/C11H23NO.C2H6O/c1-10(2)4-7-12(3)11-5-8-13-9-6-11;1-2-3/h10-11H,4-9H2,1-3H3;3H,2H2,1H3
InChIKeyZYAYWCSKEXUSNM-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.14
Rot. Bonds4

About ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine

ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine (PubChem CID 144600556) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine.

Molecular Properties

Compound Nameethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
PubChem CID144600556
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Nameethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine
SMILESCC(C)CCN(C)C1CCOCC1.CCO
InChIInChI=1S/C11H23NO.C2H6O/c1-10(2)4-7-12(3)11-5-8-13-9-6-11;1-2-3/h10-11H,4-9H2,1-3H3;3H,2H2,1H3
InChIKeyZYAYWCSKEXUSNM-UHFFFAOYSA-N
XLogP2.14
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylamino)-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64797948
6-[methyl(oxan-4-yl)amino]hexan-3-ol
CID 106802302
N'-methyl-N'-(oxan-4-yl)-N-pentan-2-ylethane-1,2-diamine
CID 62561007
(3S,4R)-3-hydroxy-4-methyl-6-[methyl(oxan-4-yl)amino]hexanamide
CID 118374751
2-(methylamino)-4-[methyl(oxan-4-yl)amino]butanoic acid
CID 63054217
2-(ethylamino)-2-methyl-4-[methyl(oxan-4-yl)amino]butan-1-ol
CID 64798350
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
2-methyl-N-[2-[methyl(oxan-4-yl)amino]ethyl]propanamide
CID 59205286
1-(4-bromophenyl)-3-[methyl(oxan-4-yl)amino]propan-1-ol
CID 62618821
2-methyl-3-[methyl(oxepan-4-yl)amino]propanoic acid
CID 65080780
N'-methyl-N-(2-methylpropyl)-N'-(oxan-4-yl)pentane-1,5-diamine
CID 62432030
(3S)-N-methyl-N-(2-methylpropyl)oxolan-3-amine
CID 171514962

Frequently Asked Questions

What is the IUPAC name of ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine?
The IUPAC name of ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine (CID 144600556) is ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine.
What is the SMILES notation for ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine?
The canonical SMILES for ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine is CC(C)CCN(C)C1CCOCC1.CCO.
What is the InChIKey of ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine?
The InChIKey is ZYAYWCSKEXUSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO.C2H6O/c1-10(2)4-7-12(3)11-5-8-13-9-6-11;1-2-3/h10-11H,4-9H2,1-3H3;3H,2H2,1H3.
What are the key properties of ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine?
ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine has a molecular weight of 231.38 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-methyl-N-(3-methylbutyl)oxan-4-amine is sourced from PubChem (CID 144600556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).