3-(methoxymethyl)-4,4-dimethylpentan-1-amine

C9H21NO — CID 115012519

IUPAC3-(methoxymethyl)-4,4-dimethylpentan-1-amine
SMILESCOCC(CCN)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)8(5-6-10)7-11-4/h8H,5-7,10H2,1-4H3
InChIKeyZRPZCYAABHTRKM-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.64
Rot. Bonds4

About 3-(methoxymethyl)-4,4-dimethylpentan-1-amine

3-(methoxymethyl)-4,4-dimethylpentan-1-amine (PubChem CID 115012519) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 3-(methoxymethyl)-4,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name3-(methoxymethyl)-4,4-dimethylpentan-1-amine
PubChem CID115012519
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name3-(methoxymethyl)-4,4-dimethylpentan-1-amine
SMILESCOCC(CCN)C(C)(C)C
InChIInChI=1S/C9H21NO/c1-9(2,3)8(5-6-10)7-11-4/h8H,5-7,10H2,1-4H3
InChIKeyZRPZCYAABHTRKM-UHFFFAOYSA-N
XLogP1.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

4-(2-aminoethyl)-N-(2-methoxyethoxy)-5,5-dimethylhexanamide
CID 82722451
3-ethyl-4,4-dimethylpentan-1-amine
CID 134419150
2-[[4-(2-aminoethyl)-5,5-dimethylhexanoyl]amino]-3-methoxypropanoic acid
CID 81078363
4-(2-aminoethyl)-N-(1-hydroxy-3-methoxypropan-2-yl)-5,5-dimethylhexanamide
CID 106188734
4-(2-aminoethyl)-N-(3-hydroxy-4-methoxybutyl)-5,5-dimethylhexanamide
CID 106247393
4-methoxy-3-(methoxymethyl)butan-1-amine
CID 130900208
(3-methoxy-3-methylbutyl) 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106666154
2-(2-methylpropoxy)ethyl 4-(2-aminoethyl)-5,5-dimethylhexanoate
CID 106448205
3-bromo-4-methoxybutan-1-amine
CID 106245357
1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-3,3-dimethylbutan-2-amine
CID 104560569
1-(4-amino-1-methoxybutan-2-yl)-3-tert-butylurea
CID 106153652
4-(2-aminoethyl)-1-(3,4-dimethoxypyrrolidin-1-yl)-5,5-dimethylhexan-1-one
CID 103533203

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-4,4-dimethylpentan-1-amine?
The IUPAC name of 3-(methoxymethyl)-4,4-dimethylpentan-1-amine (CID 115012519) is 3-(methoxymethyl)-4,4-dimethylpentan-1-amine.
What is the SMILES notation for 3-(methoxymethyl)-4,4-dimethylpentan-1-amine?
The canonical SMILES for 3-(methoxymethyl)-4,4-dimethylpentan-1-amine is COCC(CCN)C(C)(C)C.
What is the InChIKey of 3-(methoxymethyl)-4,4-dimethylpentan-1-amine?
The InChIKey is ZRPZCYAABHTRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-9(2,3)8(5-6-10)7-11-4/h8H,5-7,10H2,1-4H3.
What are the key properties of 3-(methoxymethyl)-4,4-dimethylpentan-1-amine?
3-(methoxymethyl)-4,4-dimethylpentan-1-amine has a molecular weight of 159.27 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-4,4-dimethylpentan-1-amine is sourced from PubChem (CID 115012519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).