3-methyl-N-(oxan-4-ylmethyl)butan-1-amine

C11H23NO — CID 62385670

IUPAC3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCC(C)CCNCC1CCOCC1
InChIInChI=1S/C11H23NO/c1-10(2)3-6-12-9-11-4-7-13-8-5-11/h10-12H,3-9H2,1-2H3
InChIKeyRXLUIAMJHXHJDH-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds5

About 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine

3-methyl-N-(oxan-4-ylmethyl)butan-1-amine (PubChem CID 62385670) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
PubChem CID62385670
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-N-(oxan-4-ylmethyl)butan-1-amine
SMILESCC(C)CCNCC1CCOCC1
InChIInChI=1S/C11H23NO/c1-10(2)3-6-12-9-11-4-7-13-8-5-11/h10-12H,3-9H2,1-2H3
InChIKeyRXLUIAMJHXHJDH-UHFFFAOYSA-N
XLogP2.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-3-methylbutan-1-amine
CID 43317373
N-(oxan-4-ylmethyl)-3-phenylbutan-1-amine
CID 62986615
N'-butan-2-yl-N'-methyl-N-(oxan-4-ylmethyl)ethane-1,2-diamine
CID 115685568
1-(4-methylpentoxy)-3-(oxan-4-ylmethylamino)propan-2-ol
CID 63712373
2-methyl-4-(oxan-4-ylmethylamino)butan-2-ol
CID 79355568
2-methyl-N-(oxan-4-ylmethyl)butan-1-amine
CID 62694542
(2S)-4-methyl-2-(oxan-4-ylmethylamino)pentan-1-ol
CID 94422130
N-(3-methylbutyl)-N'-(piperidin-4-ylmethyl)propane-1,3-diamine
CID 142367999
(2R)-4-(cyclopropylmethylamino)butan-2-ol
CID 96500070
3-methylsulfinyl-N-(oxolan-3-ylmethyl)butan-1-amine
CID 115887943
3-methyl-N-(thiolan-3-ylmethyl)butan-1-amine
CID 107131174
3-chloro-N-(cyclopropylmethyl)butan-1-amine
CID 65025281

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The IUPAC name of 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine (CID 62385670) is 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine.
What is the SMILES notation for 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The canonical SMILES for 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine is CC(C)CCNCC1CCOCC1.
What is the InChIKey of 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
The InChIKey is RXLUIAMJHXHJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-10(2)3-6-12-9-11-4-7-13-8-5-11/h10-12H,3-9H2,1-2H3.
What are the key properties of 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine?
3-methyl-N-(oxan-4-ylmethyl)butan-1-amine has a molecular weight of 185.31 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-(oxan-4-ylmethyl)butan-1-amine is sourced from PubChem (CID 62385670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).