3-methyl-N-propan-2-ylbutan-1-amine

C8H19N — CID 527114

IUPAC3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCNC(C)C
InChIInChI=1S/C8H19N/c1-7(2)5-6-9-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeySZWOFZPDSLAXBP-UHFFFAOYSA-N
MW129.25 g/mol
LogP2.03
Rot. Bonds4

About 3-methyl-N-propan-2-ylbutan-1-amine

3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 527114) has the molecular formula C8H19N and a molecular weight of 129.25 g/mol. Its IUPAC name is 3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID527114
Molecular FormulaC8H19N
Molecular Weight129.25 g/mol
Exact Mass129.15
IUPAC Name3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCNC(C)C
InChIInChI=1S/C8H19N/c1-7(2)5-6-9-8(3)4/h7-9H,5-6H2,1-4H3
InChIKeySZWOFZPDSLAXBP-UHFFFAOYSA-N
XLogP2.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.25
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Diisobutylamine
CID 8085
Diisoamylamine
CID 10988
DI-Sec-butylamine
CID 12277
2-Butanamine, N-ethyl-3-methyl-
CID 102873
Iptakalim
CID 10057607
(Butan-2-yl)(butyl)amine
CID 4133797
1-Butanamine, 2-methyl-N-(2-methylbutyl)-
CID 12418701
N-(2-Methylbutyl)pentan-1-amine
CID 43200840
Isoprin
CID 26326
1,5-Pentanediamine, 2-methyl-N1,N5-bis(1-methylethyl)-
CID 164123
1,1',3,3'-Tetramethyldibutylamine
CID 96012
N-Ethyl-1-amino-1,3-dimethylbutane
CID 39359

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-N-propan-2-ylbutan-1-amine (CID 527114) is 3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-N-propan-2-ylbutan-1-amine is CC(C)CCNC(C)C.
What is the InChIKey of 3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is SZWOFZPDSLAXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19N/c1-7(2)5-6-9-8(3)4/h7-9H,5-6H2,1-4H3.
What are the key properties of 3-methyl-N-propan-2-ylbutan-1-amine?
3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 129.25 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 527114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).