(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine

C14H25N — CID 146535612

IUPAC(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine
SMILESC=C(NC/C(C)=C/C=C\C(C)C)C(C)C
InChIInChI=1S/C14H25N/c1-11(2)8-7-9-13(5)10-15-14(6)12(3)4/h7-9,11-12,15H,6,10H2,1-5H3/b8-7-,13-9+
InChIKeyXZKSPHSZFLWAEB-XTYDYKDCSA-N
MW207.36 g/mol
LogP3.90
Rot. Bonds6

About (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine

(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine (PubChem CID 146535612) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine.

Molecular Properties

Compound Name(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine
PubChem CID146535612
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Name(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine
SMILESC=C(NC/C(C)=C/C=C\C(C)C)C(C)C
InChIInChI=1S/C14H25N/c1-11(2)8-7-9-13(5)10-15-14(6)12(3)4/h7-9,11-12,15H,6,10H2,1-5H3/b8-7-,13-9+
InChIKeyXZKSPHSZFLWAEB-XTYDYKDCSA-N
XLogP3.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 53.90
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

2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene
CID 162298747
(2E,4Z)-N,6-dimethylhepta-2,4-dien-2-amine
CID 126583961
(3Z,5E)-3,7-dimethylocta-1,3,5-triene
CID 6436632
(3E,5Z)-N-but-1-en-2-yl-7-methylocta-3,5-dien-3-amine
CID 142114381
2,6-dimethylhepta-2,4-diene;2,7-dimethylocta-2,4,6-triene;methane
CID 162272245
(3E,5Z)-3-fluoro-2,7-dimethylocta-3,5-diene
CID 58515107
(2E,4E)-N-but-1-en-2-yl-2,5-dimethylhepta-2,4-dien-1-amine
CID 134409216
3-methyl-N-(methylphosphanylmethyl)but-1-en-2-amine
CID 166948621
2,6-dimethylhepta-2,4-dienal
CID 171535580
ethane;N-[(2E,4Z)-2-methylhepta-2,4,6-trienyl]carbamoyl chloride
CID 142013369
N'-(3-methylbut-1-en-2-yl)-N-(2-methylpropyl)methanediamine
CID 143703528
(2E,4Z)-2,6-dimethylhepta-2,4-dienenitrile;ethane
CID 142548648

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine?
The IUPAC name of (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine (CID 146535612) is (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine.
What is the SMILES notation for (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine?
The canonical SMILES for (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine is C=C(NC/C(C)=C/C=C\C(C)C)C(C)C.
What is the InChIKey of (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine?
The InChIKey is XZKSPHSZFLWAEB-XTYDYKDCSA-N. The full InChI is InChI=1S/C14H25N/c1-11(2)8-7-9-13(5)10-15-14(6)12(3)4/h7-9,11-12,15H,6,10H2,1-5H3/b8-7-,13-9+.
What are the key properties of (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine?
(2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine has a molecular weight of 207.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-2,6-dimethyl-N-(3-methylbut-1-en-2-yl)hepta-2,4-dien-1-amine is sourced from PubChem (CID 146535612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).