N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine

C12H25NO — CID 107138713

IUPACN,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
SMILESCCCC(C)C(NC)C1CCCOC1
InChIInChI=1S/C12H25NO/c1-4-6-10(2)12(13-3)11-7-5-8-14-9-11/h10-13H,4-9H2,1-3H3
InChIKeyRCQADMPWLXWZMQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds5

About N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine

N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine (PubChem CID 107138713) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
PubChem CID107138713
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC NameN,2-dimethyl-1-(oxan-3-yl)pentan-1-amine
SMILESCCCC(C)C(NC)C1CCCOC1
InChIInChI=1S/C12H25NO/c1-4-6-10(2)12(13-3)11-7-5-8-14-9-11/h10-13H,4-9H2,1-3H3
InChIKeyRCQADMPWLXWZMQ-UHFFFAOYSA-N
XLogP2.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclooctyl-N,2-dimethylpentan-1-amine
CID 107893689
N,2,3-trimethyl-1-(oxan-3-yl)butan-1-amine
CID 107139092
2-methoxy-N-methyl-1-(oxan-3-yl)propan-1-amine
CID 107136651
2-methoxy-N-methyl-1-(oxolan-3-yl)pentan-1-amine
CID 116718856
2-ethoxy-1-(oxan-3-yl)-N-propylpropan-1-amine
CID 107136389
N-[2,2-difluoro-1-(oxan-3-yl)ethyl]propan-1-amine
CID 80604878
1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
CID 107893901
(1R)-1-[(3S)-oxan-3-yl]propan-1-amine
CID 96636720
ethyl 2-(methylamino)-2-(oxan-3-yl)acetate
CID 63740066
N,4,4-trimethyl-1-(oxan-3-yl)pentan-1-amine
CID 65332134
N-ethyl-2-methyl-3-(oxan-3-yl)butan-1-amine
CID 107138091
3-pentan-3-yloxane
CID 15620798

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine?
The IUPAC name of N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine (CID 107138713) is N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine.
What is the SMILES notation for N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine?
The canonical SMILES for N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine is CCCC(C)C(NC)C1CCCOC1.
What is the InChIKey of N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine?
The InChIKey is RCQADMPWLXWZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-6-10(2)12(13-3)11-7-5-8-14-9-11/h10-13H,4-9H2,1-3H3.
What are the key properties of N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine?
N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-1-(oxan-3-yl)pentan-1-amine is sourced from PubChem (CID 107138713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).