(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane

C10H19N — CID 143646233

IUPAC(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
SMILESC=C/C(C)=C\C(=C)NC.CC
InChIInChI=1S/C8H13N.C2H6/c1-5-7(2)6-8(3)9-4;1-2/h5-6,9H,1,3H2,2,4H3;1-2H3/b7-6-;
InChIKeyQFIBRBJIMRPHET-NAFXZHHSSA-N
MW153.27 g/mol
LogP2.88
Rot. Bonds3

About (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane

(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane (PubChem CID 143646233) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane.

Molecular Properties

Compound Name(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
PubChem CID143646233
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane
SMILESC=C/C(C)=C\C(=C)NC.CC
InChIInChI=1S/C8H13N.C2H6/c1-5-7(2)6-8(3)9-4;1-2/h5-6,9H,1,3H2,2,4H3;1-2H3/b7-6-;
InChIKeyQFIBRBJIMRPHET-NAFXZHHSSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.88
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

ethane;(3E)-2-N-methylhexa-1,3,5-triene-2,4-diamine
CID 144803149
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136
(3E)-4-dimethylsilyl-N-methylpenta-1,3-dien-2-amine
CID 148954547
ethane;[(3Z)-4-methylhexa-1,3,5-trien-2-yl]cyclopropane
CID 142052871
1-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]-2,5-dimethylidenepyrrole
CID 130374274
methyl 4-methyl-2-methylidenehexa-3,5-dienoate
CID 173110584
(3Z)-2,4-dimethylhexa-1,3,5-triene;4-methylaniline
CID 143627211
buta-1,3-diene;ethane;N-methylmethanamine;2-methylprop-1-ene
CID 145396267
ethane;(3Z,5E)-3-methyl-5-propan-2-yloxyhepta-1,3,5-triene
CID 162765220
(3E)-N,2-dimethyl-5-methylidenehepta-1,3,6-trien-4-amine
CID 143240550
(3Z)-3,6-dimethylhepta-1,3,5-triene;ethane;2-methylprop-1-ene
CID 145084506
(3Z,5E)-5-bromo-3-methylhepta-1,3,5-triene
CID 143591783

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane?
The IUPAC name of (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane (CID 143646233) is (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane.
What is the SMILES notation for (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane?
The canonical SMILES for (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane is C=C/C(C)=C\C(=C)NC.CC.
What is the InChIKey of (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane?
The InChIKey is QFIBRBJIMRPHET-NAFXZHHSSA-N. The full InChI is InChI=1S/C8H13N.C2H6/c1-5-7(2)6-8(3)9-4;1-2/h5-6,9H,1,3H2,2,4H3;1-2H3/b7-6-;.
What are the key properties of (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane?
(3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane has a molecular weight of 153.27 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,4-dimethylhexa-1,3,5-trien-2-amine;ethane is sourced from PubChem (CID 143646233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).