N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine

C10H23NO — CID 167499583

IUPACN-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine
SMILESCOCC(C)N(C)CCC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)6-7-11(4)10(3)8-12-5/h9-10H,6-8H2,1-5H3
InChIKeyVAWOCMHYMJTJDO-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.00
Rot. Bonds6

About N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine

N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine (PubChem CID 167499583) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine.

Molecular Properties

Compound NameN-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine
PubChem CID167499583
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine
SMILESCOCC(C)N(C)CCC(C)C
InChIInChI=1S/C10H23NO/c1-9(2)6-7-11(4)10(3)8-12-5/h9-10H,6-8H2,1-5H3
InChIKeyVAWOCMHYMJTJDO-UHFFFAOYSA-N
XLogP2.00
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine?
The IUPAC name of N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine (CID 167499583) is N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine.
What is the SMILES notation for N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine?
The canonical SMILES for N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine is COCC(C)N(C)CCC(C)C.
What is the InChIKey of N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine?
The InChIKey is VAWOCMHYMJTJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(2)6-7-11(4)10(3)8-12-5/h9-10H,6-8H2,1-5H3.
What are the key properties of N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine?
N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.00, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxypropan-2-yl)-N,3-dimethylbutan-1-amine is sourced from PubChem (CID 167499583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).