3,3-dimethyl-N-propan-2-ylnonan-2-amine

C14H31N — CID 155353208

IUPAC3,3-dimethyl-N-propan-2-ylnonan-2-amine
SMILESCCCCCCC(C)(C)C(C)NC(C)C
InChIInChI=1S/C14H31N/c1-7-8-9-10-11-14(5,6)13(4)15-12(2)3/h12-13,15H,7-11H2,1-6H3
InChIKeyYRBPHJSZACIAPA-UHFFFAOYSA-N
MW213.41 g/mol
LogP4.37
Rot. Bonds8

About 3,3-dimethyl-N-propan-2-ylnonan-2-amine

3,3-dimethyl-N-propan-2-ylnonan-2-amine (PubChem CID 155353208) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is 3,3-dimethyl-N-propan-2-ylnonan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-propan-2-ylnonan-2-amine
PubChem CID155353208
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name3,3-dimethyl-N-propan-2-ylnonan-2-amine
SMILESCCCCCCC(C)(C)C(C)NC(C)C
InChIInChI=1S/C14H31N/c1-7-8-9-10-11-14(5,6)13(4)15-12(2)3/h12-13,15H,7-11H2,1-6H3
InChIKeyYRBPHJSZACIAPA-UHFFFAOYSA-N
XLogP4.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3,3-trimethyloctadecane
CID 90966938
3,3-dimethylnonan-2-ol
CID 19931299
3,3-dimethyldecan-2-ol
CID 87975868
ethane;2,3,3-trimethyloctane
CID 142049944
4,5,5-trimethyldodecane
CID 123360574
2,2,4,4-tetramethyl-3-propan-2-ylnonane
CID 21202923
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
11-(2-methylheptan-2-yl)docosane
CID 57252514
2-methylicosan-2-yloxysilane
CID 173002328
2,3-dimethyl-3-propan-2-yldodecane
CID 150435624
2,2-diethyl-N-propan-2-yldodecan-1-amine
CID 63509498

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-propan-2-ylnonan-2-amine?
The IUPAC name of 3,3-dimethyl-N-propan-2-ylnonan-2-amine (CID 155353208) is 3,3-dimethyl-N-propan-2-ylnonan-2-amine.
What is the SMILES notation for 3,3-dimethyl-N-propan-2-ylnonan-2-amine?
The canonical SMILES for 3,3-dimethyl-N-propan-2-ylnonan-2-amine is CCCCCCC(C)(C)C(C)NC(C)C.
What is the InChIKey of 3,3-dimethyl-N-propan-2-ylnonan-2-amine?
The InChIKey is YRBPHJSZACIAPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N/c1-7-8-9-10-11-14(5,6)13(4)15-12(2)3/h12-13,15H,7-11H2,1-6H3.
What are the key properties of 3,3-dimethyl-N-propan-2-ylnonan-2-amine?
3,3-dimethyl-N-propan-2-ylnonan-2-amine has a molecular weight of 213.41 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-propan-2-ylnonan-2-amine is sourced from PubChem (CID 155353208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).