3-methoxy-N,4-dimethylhexan-2-amine

C9H21NO — CID 123605445

IUPAC3-methoxy-N,4-dimethylhexan-2-amine
SMILESCCC(C)C(OC)C(C)NC
InChIInChI=1S/C9H21NO/c1-6-7(2)9(11-5)8(3)10-4/h7-10H,6H2,1-5H3
InChIKeyLQSKNCWHKHCXHC-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.66
Rot. Bonds5

About 3-methoxy-N,4-dimethylhexan-2-amine

3-methoxy-N,4-dimethylhexan-2-amine (PubChem CID 123605445) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-methoxy-N,4-dimethylhexan-2-amine.

Molecular Properties

Compound Name3-methoxy-N,4-dimethylhexan-2-amine
PubChem CID123605445
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-methoxy-N,4-dimethylhexan-2-amine
SMILESCCC(C)C(OC)C(C)NC
InChIInChI=1S/C9H21NO/c1-6-7(2)9(11-5)8(3)10-4/h7-10H,6H2,1-5H3
InChIKeyLQSKNCWHKHCXHC-UHFFFAOYSA-N
XLogP1.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-methoxyethyl)-3-methylcyclopentan-1-amine
CID 64501211
N-(2-methoxyethyl)-2-methylcyclopentan-1-amine
CID 63278202
1-methoxy-N,4-dimethylpentan-2-amine
CID 13140129
(2S)-1-methoxy-N,4-dimethylpentan-2-amine
CID 13140130
N-ethyl-2,4,5-trimethyloxolan-3-amine;lawrencium
CID 18339631
N-ethyl-2,4,5-trimethyloxolan-3-amine
CID 18339632
(2S)-1-ethoxy-N,4-dimethylpentan-2-amine
CID 18649582
(2-Methoxyethyl)(4-methylpentan-2-yl)amine
CID 43190116
(1-Methoxypropan-2-yl)(4-methylpentan-2-yl)amine
CID 43191824
2,4,5-trimethyl-N-propan-2-yloxolan-3-amine
CID 57679789
5-Methyl-2-(methylamino)hexan-3-ol
CID 57918956
3-methoxy-2-N,5-N-dimethylhexane-2,5-diamine
CID 59131902

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N,4-dimethylhexan-2-amine?
The IUPAC name of 3-methoxy-N,4-dimethylhexan-2-amine (CID 123605445) is 3-methoxy-N,4-dimethylhexan-2-amine.
What is the SMILES notation for 3-methoxy-N,4-dimethylhexan-2-amine?
The canonical SMILES for 3-methoxy-N,4-dimethylhexan-2-amine is CCC(C)C(OC)C(C)NC.
What is the InChIKey of 3-methoxy-N,4-dimethylhexan-2-amine?
The InChIKey is LQSKNCWHKHCXHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-6-7(2)9(11-5)8(3)10-4/h7-10H,6H2,1-5H3.
What are the key properties of 3-methoxy-N,4-dimethylhexan-2-amine?
3-methoxy-N,4-dimethylhexan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N,4-dimethylhexan-2-amine is sourced from PubChem (CID 123605445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).