(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine

C10H17N — CID 166837247

IUPAC(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine
SMILESC=C/C(C/C(C)=C/C)=C(/C)N
InChIInChI=1S/C10H17N/c1-5-8(3)7-10(6-2)9(4)11/h5-6H,2,7,11H2,1,3-4H3/b8-5+,10-9+
InChIKeyDGCMZGQWYPRCGA-CPSCNVPRSA-N
MW151.25 g/mol
LogP2.76
Rot. Bonds3

About (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine

(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine (PubChem CID 166837247) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine.

Molecular Properties

Compound Name(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine
PubChem CID166837247
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine
SMILESC=C/C(C/C(C)=C/C)=C(/C)N
InChIInChI=1S/C10H17N/c1-5-8(3)7-10(6-2)9(4)11/h5-6H,2,7,11H2,1,3-4H3/b8-5+,10-9+
InChIKeyDGCMZGQWYPRCGA-CPSCNVPRSA-N
XLogP2.76
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(Z)-2-[(1Z)-2-methylbuta-1,3-dienyl]but-2-ene-1,3-diamine
CID 142966093
4,6-dimethylocta-1,3,6-triene
CID 59970849
3-methylpenta-2,4-dien-2-amine
CID 141358440
(4E)-4-methyl-N-(2-methylprop-2-enyl)hexa-1,4-dien-2-amine
CID 142371278
(2E)-2-ethenyl-3-methylpenta-2,4-dien-1-amine
CID 142018052
ethenamine;(E)-N-ethyl-2-methylbut-2-en-1-amine;methanol
CID 143707502
(2E)-2-ethenyl-3,4-dimethylpenta-2,4-dien-1-amine
CID 142547585
(3E,6E)-2,3,4,6-tetramethylocta-1,3,6-triene
CID 20695183
ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
(E)-2-ethenylbut-2-en-1-amine
CID 142131613
methane;(Z)-3-methylpent-2-ene;prop-1-ene
CID 142993133
(2Z,4Z)-2-ethenyl-4-ethyl-3-fluorohexa-2,4-dien-1-amine
CID 90066548

Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine?
The IUPAC name of (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine (CID 166837247) is (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine.
What is the SMILES notation for (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine?
The canonical SMILES for (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine is C=C/C(C/C(C)=C/C)=C(/C)N.
What is the InChIKey of (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine?
The InChIKey is DGCMZGQWYPRCGA-CPSCNVPRSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8(3)7-10(6-2)9(4)11/h5-6H,2,7,11H2,1,3-4H3/b8-5+,10-9+.
What are the key properties of (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine?
(2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine has a molecular weight of 151.25 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-3-ethenyl-5-methylhepta-2,5-dien-2-amine is sourced from PubChem (CID 166837247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).