2,5,5-trimethylnonan-1-amine

C12H27N — CID 123431416

IUPAC2,5,5-trimethylnonan-1-amine
SMILESCCCCC(C)(C)CCC(C)CN
InChIInChI=1S/C12H27N/c1-5-6-8-12(3,4)9-7-11(2)10-13/h11H,5-10,13H2,1-4H3
InChIKeyOEABDBFBJARURA-UHFFFAOYSA-N
MW185.35 g/mol
LogP3.58
Rot. Bonds7

About 2,5,5-trimethylnonan-1-amine

2,5,5-trimethylnonan-1-amine (PubChem CID 123431416) has the molecular formula C12H27N and a molecular weight of 185.35 g/mol. Its IUPAC name is 2,5,5-trimethylnonan-1-amine.

Molecular Properties

Compound Name2,5,5-trimethylnonan-1-amine
PubChem CID123431416
Molecular FormulaC12H27N
Molecular Weight185.35 g/mol
Exact Mass185.21
IUPAC Name2,5,5-trimethylnonan-1-amine
SMILESCCCCC(C)(C)CCC(C)CN
InChIInChI=1S/C12H27N/c1-5-6-8-12(3,4)9-7-11(2)10-13/h11H,5-10,13H2,1-4H3
InChIKeyOEABDBFBJARURA-UHFFFAOYSA-N
XLogP3.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.35
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5,5-dimethylnonane;5-methylnonane
CID 158755954
3,5,8,8-tetramethyldodecane
CID 123736669
2,2,5-trimethyl-N-propylhexane-1,6-diamine
CID 19427160
4,4,7-trimethyldodecane
CID 91411996
4,7,7,10-tetramethyltridecane
CID 123261465
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
2-methylnonan-1-amine
CID 21396878
2-methyltricosan-1-amine
CID 87547792
2-methyloctadecan-1-amine
CID 56980469
3,7,7-trimethyltridecane
CID 123996242
4,4-dimethyltridecan-1-amine
CID 172686024
2,6,6-trimethyldecanal
CID 175416251

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethylnonan-1-amine?
The IUPAC name of 2,5,5-trimethylnonan-1-amine (CID 123431416) is 2,5,5-trimethylnonan-1-amine.
What is the SMILES notation for 2,5,5-trimethylnonan-1-amine?
The canonical SMILES for 2,5,5-trimethylnonan-1-amine is CCCCC(C)(C)CCC(C)CN.
What is the InChIKey of 2,5,5-trimethylnonan-1-amine?
The InChIKey is OEABDBFBJARURA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N/c1-5-6-8-12(3,4)9-7-11(2)10-13/h11H,5-10,13H2,1-4H3.
What are the key properties of 2,5,5-trimethylnonan-1-amine?
2,5,5-trimethylnonan-1-amine has a molecular weight of 185.35 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethylnonan-1-amine is sourced from PubChem (CID 123431416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).