1-methoxy-3,4,4-trimethylpentan-2-amine

C9H21NO — CID 131227097

IUPAC1-methoxy-3,4,4-trimethylpentan-2-amine
SMILESCOCC(N)C(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(9(2,3)4)8(10)6-11-5/h7-8H,6,10H2,1-5H3
InChIKeyNJCAIBZELZQNFK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.64
Rot. Bonds3

About 1-methoxy-3,4,4-trimethylpentan-2-amine

1-methoxy-3,4,4-trimethylpentan-2-amine (PubChem CID 131227097) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-methoxy-3,4,4-trimethylpentan-2-amine.

Molecular Properties

Compound Name1-methoxy-3,4,4-trimethylpentan-2-amine
PubChem CID131227097
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-methoxy-3,4,4-trimethylpentan-2-amine
SMILESCOCC(N)C(C)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-7(9(2,3)4)8(10)6-11-5/h7-8H,6,10H2,1-5H3
InChIKeyNJCAIBZELZQNFK-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S,3S)-1,4-dimethoxybutane-2,3-diamine
CID 11051828
(2S,3S)-1-methoxy-3-methylpentan-2-amine
CID 28802418
(2S)-1-methoxy-3-methylpentan-2-amine
CID 55263175
2,2,4,5,5-pentamethylhexan-3-amine
CID 131148580
1,3,5-trimethoxypentane-2,4-diamine
CID 88989163
1-methoxy-3-methylhexan-2-amine
CID 105008836
1,3-dimethoxy-3-methylbutan-2-amine
CID 79569539
(3R)-1-methoxy-4,4-dimethylpentan-3-amine
CID 94424663
(2R)-4-methoxy-3-methylbutan-2-amine
CID 134348590
1-methoxypropan-2-yl (2R)-2-amino-3,3-dimethylbutanoate
CID 103927421
3-amino-4-methoxy-2-methylsulfanylbutan-1-ol
CID 114370505
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3,4,4-trimethylpentan-2-amine?
The IUPAC name of 1-methoxy-3,4,4-trimethylpentan-2-amine (CID 131227097) is 1-methoxy-3,4,4-trimethylpentan-2-amine.
What is the SMILES notation for 1-methoxy-3,4,4-trimethylpentan-2-amine?
The canonical SMILES for 1-methoxy-3,4,4-trimethylpentan-2-amine is COCC(N)C(C)C(C)(C)C.
What is the InChIKey of 1-methoxy-3,4,4-trimethylpentan-2-amine?
The InChIKey is NJCAIBZELZQNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-7(9(2,3)4)8(10)6-11-5/h7-8H,6,10H2,1-5H3.
What are the key properties of 1-methoxy-3,4,4-trimethylpentan-2-amine?
1-methoxy-3,4,4-trimethylpentan-2-amine has a molecular weight of 159.27 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3,4,4-trimethylpentan-2-amine is sourced from PubChem (CID 131227097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).