3-methyl-1-(oxan-4-yl)pentan-2-amine

C11H23NO — CID 63716846

IUPAC3-methyl-1-(oxan-4-yl)pentan-2-amine
SMILESCCC(C)C(N)CC1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-9(2)11(12)8-10-4-6-13-7-5-10/h9-11H,3-8,12H2,1-2H3
InChIKeyKJIOBTLXZJKMLW-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.18
Rot. Bonds4

About 3-methyl-1-(oxan-4-yl)pentan-2-amine

3-methyl-1-(oxan-4-yl)pentan-2-amine (PubChem CID 63716846) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 3-methyl-1-(oxan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name3-methyl-1-(oxan-4-yl)pentan-2-amine
PubChem CID63716846
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name3-methyl-1-(oxan-4-yl)pentan-2-amine
SMILESCCC(C)C(N)CC1CCOCC1
InChIInChI=1S/C11H23NO/c1-3-9(2)11(12)8-10-4-6-13-7-5-10/h9-11H,3-8,12H2,1-2H3
InChIKeyKJIOBTLXZJKMLW-UHFFFAOYSA-N
XLogP2.18
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-3-methylpentan-2-amine
CID 64904257
(2S)-3-methyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 68721418
3-ethoxy-1-(oxan-4-yl)pentan-2-amine
CID 116716257
(2S)-1-(oxan-4-yl)propan-2-amine
CID 94422387
1-(oxan-4-yl)propan-2-amine
CID 21054632
1-N,3-dimethyl-1-N-(oxan-4-ylmethyl)pentane-1,2-diamine
CID 63707559
1-cyclopropyl-1-methoxy-3-(oxan-4-yl)propan-2-amine
CID 116721882
1-(oxolan-3-yl)butane-2,3-diamine
CID 126685843
1-(4-butylcyclohexyl)-2-(oxan-4-yl)ethanamine
CID 115846799
2-methylpropylcyclobutane;4-(2-methylpropyl)oxane
CID 157070530
1-(oxan-4-yl)heptan-2-amine
CID 115846998
methyl 2-methyl-3-(oxan-4-yl)propanoate
CID 67765970

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(oxan-4-yl)pentan-2-amine?
The IUPAC name of 3-methyl-1-(oxan-4-yl)pentan-2-amine (CID 63716846) is 3-methyl-1-(oxan-4-yl)pentan-2-amine.
What is the SMILES notation for 3-methyl-1-(oxan-4-yl)pentan-2-amine?
The canonical SMILES for 3-methyl-1-(oxan-4-yl)pentan-2-amine is CCC(C)C(N)CC1CCOCC1.
What is the InChIKey of 3-methyl-1-(oxan-4-yl)pentan-2-amine?
The InChIKey is KJIOBTLXZJKMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-3-9(2)11(12)8-10-4-6-13-7-5-10/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 3-methyl-1-(oxan-4-yl)pentan-2-amine?
3-methyl-1-(oxan-4-yl)pentan-2-amine has a molecular weight of 185.31 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(oxan-4-yl)pentan-2-amine is sourced from PubChem (CID 63716846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).