1-methoxy-4,4-dimethylpentan-3-amine

C8H19NO — CID 62394673

IUPAC1-methoxy-4,4-dimethylpentan-3-amine
SMILESCOCCC(N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3
InChIKeyHNMOBVLDWCTSHU-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.40
Rot. Bonds3

About 1-methoxy-4,4-dimethylpentan-3-amine

1-methoxy-4,4-dimethylpentan-3-amine (PubChem CID 62394673) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-methoxy-4,4-dimethylpentan-3-amine.

Molecular Properties

Compound Name1-methoxy-4,4-dimethylpentan-3-amine
PubChem CID62394673
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-methoxy-4,4-dimethylpentan-3-amine
SMILESCOCCC(N)C(C)(C)C
InChIInChI=1S/C8H19NO/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3
InChIKeyHNMOBVLDWCTSHU-UHFFFAOYSA-N
XLogP1.40
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4,4-dimethylpentan-3-amine?
The IUPAC name of 1-methoxy-4,4-dimethylpentan-3-amine (CID 62394673) is 1-methoxy-4,4-dimethylpentan-3-amine.
What is the SMILES notation for 1-methoxy-4,4-dimethylpentan-3-amine?
The canonical SMILES for 1-methoxy-4,4-dimethylpentan-3-amine is COCCC(N)C(C)(C)C.
What is the InChIKey of 1-methoxy-4,4-dimethylpentan-3-amine?
The InChIKey is HNMOBVLDWCTSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-8(2,3)7(9)5-6-10-4/h7H,5-6,9H2,1-4H3.
What are the key properties of 1-methoxy-4,4-dimethylpentan-3-amine?
1-methoxy-4,4-dimethylpentan-3-amine has a molecular weight of 145.25 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4,4-dimethylpentan-3-amine is sourced from PubChem (CID 62394673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).