2,3,3-trimethyl-N,N-dipropylbutan-1-amine

C13H29N — CID 122677496

IUPAC2,3,3-trimethyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CC(C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-14(10-8-2)11-12(3)13(4,5)6/h12H,7-11H2,1-6H3
InChIKeyOPKRQNRMSCWKLL-UHFFFAOYSA-N
MW199.38 g/mol
LogP3.79
Rot. Bonds6

About 2,3,3-trimethyl-N,N-dipropylbutan-1-amine

2,3,3-trimethyl-N,N-dipropylbutan-1-amine (PubChem CID 122677496) has the molecular formula C13H29N and a molecular weight of 199.38 g/mol. Its IUPAC name is 2,3,3-trimethyl-N,N-dipropylbutan-1-amine.

Molecular Properties

Compound Name2,3,3-trimethyl-N,N-dipropylbutan-1-amine
PubChem CID122677496
Molecular FormulaC13H29N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name2,3,3-trimethyl-N,N-dipropylbutan-1-amine
SMILESCCCN(CCC)CC(C)C(C)(C)C
InChIInChI=1S/C13H29N/c1-7-9-14(10-8-2)11-12(3)13(4,5)6/h12H,7-11H2,1-6H3
InChIKeyOPKRQNRMSCWKLL-UHFFFAOYSA-N
XLogP3.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3,3-trimethyl-N,N-dipropylbutan-1-amine?
The IUPAC name of 2,3,3-trimethyl-N,N-dipropylbutan-1-amine (CID 122677496) is 2,3,3-trimethyl-N,N-dipropylbutan-1-amine.
What is the SMILES notation for 2,3,3-trimethyl-N,N-dipropylbutan-1-amine?
The canonical SMILES for 2,3,3-trimethyl-N,N-dipropylbutan-1-amine is CCCN(CCC)CC(C)C(C)(C)C.
What is the InChIKey of 2,3,3-trimethyl-N,N-dipropylbutan-1-amine?
The InChIKey is OPKRQNRMSCWKLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N/c1-7-9-14(10-8-2)11-12(3)13(4,5)6/h12H,7-11H2,1-6H3.
What are the key properties of 2,3,3-trimethyl-N,N-dipropylbutan-1-amine?
2,3,3-trimethyl-N,N-dipropylbutan-1-amine has a molecular weight of 199.38 g/mol, XLogP of 3.79, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3-trimethyl-N,N-dipropylbutan-1-amine is sourced from PubChem (CID 122677496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).