5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine

C13H25N — CID 163596317

IUPAC5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine
SMILESC=C(CN)CC(=C)C(C)(C)CC(C)C
InChIInChI=1S/C13H25N/c1-10(2)8-13(5,6)12(4)7-11(3)9-14/h10H,3-4,7-9,14H2,1-2,5-6H3
InChIKeyGTTBEJMTSWVTKZ-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.52
Rot. Bonds6

About 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine

5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine (PubChem CID 163596317) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine.

Molecular Properties

Compound Name5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine
PubChem CID163596317
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine
SMILESC=C(CN)CC(=C)C(C)(C)CC(C)C
InChIInChI=1S/C13H25N/c1-10(2)8-13(5,6)12(4)7-11(3)9-14/h10H,3-4,7-9,14H2,1-2,5-6H3
InChIKeyGTTBEJMTSWVTKZ-UHFFFAOYSA-N
XLogP3.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3,3,5-trimethyl-2-methylidenehexanamide
CID 139781680
2,2,4-trimethylpentanethioamide
CID 126620843
3,3,5-trimethylhexan-2-one
CID 2776079
N,2,3,5-tetramethylhex-1-en-3-amine
CID 145459667
ethane;N,2,2,4-tetramethylpentanamide
CID 143818563
2,2,4-trimethyl-N-propan-2-ylpentanamide
CID 126707660
1-amino-2,4-dimethylpentan-2-ol;hydrochloride
CID 137460110
N-(1-aminohexan-2-yl)-2,2,4-trimethylpentanamide;hydrochloride
CID 119666304
N',2,2,4-tetramethylpentanehydrazide
CID 116847123
2,2,4-trimethyl-N-prop-2-enylpentanamide
CID 166713850
4-(3,3,5-trimethylhex-1-en-2-ylamino)hexan-3-one
CID 166719655
5-fluoro-4-methyl-2-methylidenepentan-1-amine
CID 170256845

Frequently Asked Questions

What is the IUPAC name of 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine?
The IUPAC name of 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine (CID 163596317) is 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine.
What is the SMILES notation for 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine?
The canonical SMILES for 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine is C=C(CN)CC(=C)C(C)(C)CC(C)C.
What is the InChIKey of 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine?
The InChIKey is GTTBEJMTSWVTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)8-13(5,6)12(4)7-11(3)9-14/h10H,3-4,7-9,14H2,1-2,5-6H3.
What are the key properties of 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine?
5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine has a molecular weight of 195.35 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,7-trimethyl-2,4-dimethylideneoctan-1-amine is sourced from PubChem (CID 163596317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).