(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane

C9H19N — CID 144535129

IUPAC(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
SMILESCC.CC(C)=C(C)/C=C\N
InChIInChI=1S/C7H13N.C2H6/c1-6(2)7(3)4-5-8;1-2/h4-5H,8H2,1-3H3;1-2H3/b5-4-;
InChIKeyAWDDLEHDXNMNRP-MKWAYWHRSA-N
MW141.26 g/mol
LogP2.84
Rot. Bonds1

About (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane

(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane (PubChem CID 144535129) has the molecular formula C9H19N and a molecular weight of 141.26 g/mol. Its IUPAC name is (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane.

Molecular Properties

Compound Name(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
PubChem CID144535129
Molecular FormulaC9H19N
Molecular Weight141.26 g/mol
Exact Mass141.15
IUPAC Name(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane
SMILESCC.CC(C)=C(C)/C=C\N
InChIInChI=1S/C7H13N.C2H6/c1-6(2)7(3)4-5-8;1-2/h4-5H,8H2,1-3H3;1-2H3/b5-4-;
InChIKeyAWDDLEHDXNMNRP-MKWAYWHRSA-N
XLogP2.84
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 52.84
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

(1E)-3,4-dimethylpenta-1,3-dien-1-ol
CID 173388634
ethane;(Z)-3-methyliminobut-1-en-1-amine
CID 143155642
[(Z)-4-aminobut-3-en-2-ylidene]vanadium
CID 144985348
(1Z,3E)-4-methoxy-3-methylhexa-1,3,5-trien-1-amine
CID 89205984
(1E,3Z)-3,4,7-trimethylocta-1,3-dien-1-amine
CID 134400549
(1Z,3Z)-3,6-dimethylhepta-1,3,5-trien-1-amine
CID 130224549
(1Z)-3-N-amino-4-methyl-3-N-(methylamino)penta-1,3-diene-1,3-diamine
CID 170048759
(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane
CID 143705298
(1Z,3Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 142089102
(1Z)-3-methylpenta-1,3-diene-1,5-diamine
CID 137396270
3,4-dimethylpenta-1,3-diene
CID 6713443
ethane;(4Z)-2-methylhepta-2,4-dien-3-amine
CID 145261279

Frequently Asked Questions

What is the IUPAC name of (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane?
The IUPAC name of (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane (CID 144535129) is (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane.
What is the SMILES notation for (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane?
The canonical SMILES for (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane is CC.CC(C)=C(C)/C=C\N.
What is the InChIKey of (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane?
The InChIKey is AWDDLEHDXNMNRP-MKWAYWHRSA-N. The full InChI is InChI=1S/C7H13N.C2H6/c1-6(2)7(3)4-5-8;1-2/h4-5H,8H2,1-3H3;1-2H3/b5-4-;.
What are the key properties of (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane?
(1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane has a molecular weight of 141.26 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3,4-dimethylpenta-1,3-dien-1-amine;ethane is sourced from PubChem (CID 144535129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).