2,4,4-trimethyl-N,N-dipropylpentan-2-amine

C14H31N — CID 15544233

IUPAC2,4,4-trimethyl-N,N-dipropylpentan-2-amine
SMILESCCCN(CCC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-8-10-15(11-9-2)14(6,7)12-13(3,4)5/h8-12H2,1-7H3
InChIKeyGITYXNPYNVCOLR-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.32
Rot. Bonds6

About 2,4,4-trimethyl-N,N-dipropylpentan-2-amine

2,4,4-trimethyl-N,N-dipropylpentan-2-amine (PubChem CID 15544233) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 2,4,4-trimethyl-N,N-dipropylpentan-2-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N,N-dipropylpentan-2-amine
PubChem CID15544233
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name2,4,4-trimethyl-N,N-dipropylpentan-2-amine
SMILESCCCN(CCC)C(C)(C)CC(C)(C)C
InChIInChI=1S/C14H31N/c1-8-10-15(11-9-2)14(6,7)12-13(3,4)5/h8-12H2,1-7H3
InChIKeyGITYXNPYNVCOLR-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N,N-dipropylpentan-2-amine?
The IUPAC name of 2,4,4-trimethyl-N,N-dipropylpentan-2-amine (CID 15544233) is 2,4,4-trimethyl-N,N-dipropylpentan-2-amine.
What is the SMILES notation for 2,4,4-trimethyl-N,N-dipropylpentan-2-amine?
The canonical SMILES for 2,4,4-trimethyl-N,N-dipropylpentan-2-amine is CCCN(CCC)C(C)(C)CC(C)(C)C.
What is the InChIKey of 2,4,4-trimethyl-N,N-dipropylpentan-2-amine?
The InChIKey is GITYXNPYNVCOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-8-10-15(11-9-2)14(6,7)12-13(3,4)5/h8-12H2,1-7H3.
What are the key properties of 2,4,4-trimethyl-N,N-dipropylpentan-2-amine?
2,4,4-trimethyl-N,N-dipropylpentan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N,N-dipropylpentan-2-amine is sourced from PubChem (CID 15544233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).