4,5,5-trimethyl-3-methylidenehex-1-en-2-amine

C10H19N — CID 126550733

IUPAC4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
SMILESC=C(N)C(=C)C(C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-7(9(3)11)8(2)10(4,5)6/h8H,1,3,11H2,2,4-6H3
InChIKeyYFKMIEAQJIQHOD-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.70
Rot. Bonds2

About 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine

4,5,5-trimethyl-3-methylidenehex-1-en-2-amine (PubChem CID 126550733) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine.

Molecular Properties

Compound Name4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
PubChem CID126550733
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name4,5,5-trimethyl-3-methylidenehex-1-en-2-amine
SMILESC=C(N)C(=C)C(C)C(C)(C)C
InChIInChI=1S/C10H19N/c1-7(9(3)11)8(2)10(4,5)6/h8H,1,3,11H2,2,4-6H3
InChIKeyYFKMIEAQJIQHOD-UHFFFAOYSA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2,3,3-trimethylbutanamide
CID 11579125
(2R)-2,3,3-trimethylbutanamide;(2S)-2,3,3-trimethylbutanamide
CID 143175420
ethane;(3S)-2,3,4,4-tetramethylpent-1-ene
CID 145347239
2-methylpropane;prop-1-en-2-amine
CID 174893746
3,3-dimethylbut-1-en-2-amine
CID 15393104
(2R,3S,5R)-3,5,6,6-tetramethyl-4-methylideneheptan-2-ol
CID 124933373
(Z)-2-(3,3-dimethylbutan-2-yl)-3-hydroxy-4,4-dimethylpent-2-enamide
CID 59432218
ethane;propan-2-amine;prop-1-en-2-amine
CID 162282667
4,6-dimethyl-3-methylideneoct-1-en-2-amine
CID 143352290
4-methyl-2-methylidene-3-propan-2-ylpentanamide
CID 141368866
(E,5S)-2,2,4,5,6,6-hexamethylhept-3-ene
CID 59026949
3,4,6,7,7-pentamethyl-5-methylideneoctan-3-ol
CID 86019089

Frequently Asked Questions

What is the IUPAC name of 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine?
The IUPAC name of 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine (CID 126550733) is 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine.
What is the SMILES notation for 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine?
The canonical SMILES for 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine is C=C(N)C(=C)C(C)C(C)(C)C.
What is the InChIKey of 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine?
The InChIKey is YFKMIEAQJIQHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-7(9(3)11)8(2)10(4,5)6/h8H,1,3,11H2,2,4-6H3.
What are the key properties of 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine?
4,5,5-trimethyl-3-methylidenehex-1-en-2-amine has a molecular weight of 153.27 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5-trimethyl-3-methylidenehex-1-en-2-amine is sourced from PubChem (CID 126550733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).