2,4,5-trimethyl-3-propan-2-ylnonan-3-amine

C15H33N — CID 129291321

IUPAC2,4,5-trimethyl-3-propan-2-ylnonan-3-amine
SMILESCCCCC(C)C(C)C(N)(C(C)C)C(C)C
InChIInChI=1S/C15H33N/c1-8-9-10-13(6)14(7)15(16,11(2)3)12(4)5/h11-14H,8-10,16H2,1-7H3
InChIKeyYIQBIRJPBBKQRH-UHFFFAOYSA-N
MW227.44 g/mol
LogP4.46
Rot. Bonds7

About 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine

2,4,5-trimethyl-3-propan-2-ylnonan-3-amine (PubChem CID 129291321) has the molecular formula C15H33N and a molecular weight of 227.44 g/mol. Its IUPAC name is 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine.

Molecular Properties

Compound Name2,4,5-trimethyl-3-propan-2-ylnonan-3-amine
PubChem CID129291321
Molecular FormulaC15H33N
Molecular Weight227.44 g/mol
Exact Mass227.26
IUPAC Name2,4,5-trimethyl-3-propan-2-ylnonan-3-amine
SMILESCCCCC(C)C(C)C(N)(C(C)C)C(C)C
InChIInChI=1S/C15H33N/c1-8-9-10-13(6)14(7)15(16,11(2)3)12(4)5/h11-14H,8-10,16H2,1-7H3
InChIKeyYIQBIRJPBBKQRH-UHFFFAOYSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.44
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2,3-dimethylheptane;ethane
CID 156648444
3,3,4,5-tetramethyldodecane
CID 175562493
hexane;2,3,4-trimethylpentan-3-amine
CID 174790441
5-fluoro-6-methyldecane
CID 123598559
(5S,6R)-2,5,6-trimethyldecane
CID 154723790
2,2,6,7-tetramethylundecane
CID 123602815
3,4-dimethyloctane-1,1-diamine
CID 156699535
2,2,4,5-tetramethylnonane
CID 57490937
8,9-dimethylhexacosane
CID 160651612

Frequently Asked Questions

What is the IUPAC name of 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine?
The IUPAC name of 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine (CID 129291321) is 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine.
What is the SMILES notation for 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine?
The canonical SMILES for 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine is CCCCC(C)C(C)C(N)(C(C)C)C(C)C.
What is the InChIKey of 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine?
The InChIKey is YIQBIRJPBBKQRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N/c1-8-9-10-13(6)14(7)15(16,11(2)3)12(4)5/h11-14H,8-10,16H2,1-7H3.
What are the key properties of 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine?
2,4,5-trimethyl-3-propan-2-ylnonan-3-amine has a molecular weight of 227.44 g/mol, XLogP of 4.46, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,5-trimethyl-3-propan-2-ylnonan-3-amine is sourced from PubChem (CID 129291321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).