1-methoxy-6-methylheptan-2-amine

C9H21NO — CID 62320003

IUPAC1-methoxy-6-methylheptan-2-amine
SMILESCOCC(N)CCCC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)5-4-6-9(10)7-11-3/h8-9H,4-7,10H2,1-3H3
InChIKeyIRFHVDQUCTVLRC-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.79
Rot. Bonds6

About 1-methoxy-6-methylheptan-2-amine

1-methoxy-6-methylheptan-2-amine (PubChem CID 62320003) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-methoxy-6-methylheptan-2-amine.

Molecular Properties

Compound Name1-methoxy-6-methylheptan-2-amine
PubChem CID62320003
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-methoxy-6-methylheptan-2-amine
SMILESCOCC(N)CCCC(C)C
InChIInChI=1S/C9H21NO/c1-8(2)5-4-6-9(10)7-11-3/h8-9H,4-7,10H2,1-3H3
InChIKeyIRFHVDQUCTVLRC-UHFFFAOYSA-N
XLogP1.79
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-methyl-1-propan-2-yloxyheptan-2-amine
CID 105177020
1-ethoxy-6-methylheptan-2-amine
CID 83162335
1-methoxy-7-methyloctan-4-amine
CID 62603924
2,34-dimethylpentatriacontan-18-amine
CID 141007495
1-methoxy-4,8-dimethylnonane
CID 90974533
1-methoxy-3,10-dimethylundecane
CID 154134706
(2S)-1-fluoro-3-methoxypropan-2-amine
CID 22789989
(3R)-3-amino-4-methoxybutan-1-ol
CID 95241115
3-methoxy-1-N,1-N-bis(2-methylpropyl)propane-1,2-diamine
CID 81101510
(2S)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
CID 177282025
(2R)-3,3-dideuterio-1-methoxy-4-methylpentan-2-amine
CID 177282039
1-methoxy-3-(3-methylbutylsulfinyl)propan-2-amine
CID 107760473

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-6-methylheptan-2-amine?
The IUPAC name of 1-methoxy-6-methylheptan-2-amine (CID 62320003) is 1-methoxy-6-methylheptan-2-amine.
What is the SMILES notation for 1-methoxy-6-methylheptan-2-amine?
The canonical SMILES for 1-methoxy-6-methylheptan-2-amine is COCC(N)CCCC(C)C.
What is the InChIKey of 1-methoxy-6-methylheptan-2-amine?
The InChIKey is IRFHVDQUCTVLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)5-4-6-9(10)7-11-3/h8-9H,4-7,10H2,1-3H3.
What are the key properties of 1-methoxy-6-methylheptan-2-amine?
1-methoxy-6-methylheptan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-6-methylheptan-2-amine is sourced from PubChem (CID 62320003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).