3,3-dimethyl-N,N-dipropylbutan-1-amine

C12H27N — CID 20587831

IUPAC3,3-dimethyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-9-13(10-7-2)11-8-12(3,4)5/h6-11H2,1-5H3
InChIKeyTWVWRBOZNKXELX-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.54
Rot. Bonds6

About 3,3-dimethyl-N,N-dipropylbutan-1-amine

3,3-dimethyl-N,N-dipropylbutan-1-amine (PubChem CID 20587831) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 3,3-dimethyl-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N,N-dipropylbutan-1-amine
PubChem CID20587831
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name3,3-dimethyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CCC(C)(C)C
InChIInChI=1S/C12H27N/c1-6-9-13(10-7-2)11-8-12(3,4)5/h6-11H2,1-5H3
InChIKeyTWVWRBOZNKXELX-UHFFFAOYSA-N
XLogP3.54
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butanamine, 3-methyl-N,N-bis(3-methylbutyl)-
CID 69525
N-(3-methylbutyl)diethylamine
CID 199672
1-Butanamine, 2-methyl-N,N-bis(2-methylbutyl)-
CID 14298629
N,N,2,3,3-Pentamethylbutan-1-amine
CID 123199
Triethylamine, 2-isopropyl-, hydrochloride
CID 199671
N-butyl-N-methyl-2-methyl-1-propanamine
CID 21399986
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
(2-methylbutyl)-N,N'-diethylamine
CID 13315691
N,N,3,3-Tetramethylbutylamine
CID 19033341
Isoamyldibutylamine
CID 20558830
N,N-Diethyl-tert-octylamine,98
CID 3341692
N,N,N',N'-tetraethyl-2-methylbutane-1,4-diamine
CID 10921871

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N,N-dipropylbutan-1-amine?
The IUPAC name of 3,3-dimethyl-N,N-dipropylbutan-1-amine (CID 20587831) is 3,3-dimethyl-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N,N-dipropylbutan-1-amine?
The canonical SMILES for 3,3-dimethyl-N,N-dipropylbutan-1-amine is CCCN(CCC)CCC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-N,N-dipropylbutan-1-amine?
The InChIKey is TWVWRBOZNKXELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-6-9-13(10-7-2)11-8-12(3,4)5/h6-11H2,1-5H3.
What are the key properties of 3,3-dimethyl-N,N-dipropylbutan-1-amine?
3,3-dimethyl-N,N-dipropylbutan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.54, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 20587831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).