(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine

C10H17N — CID 155693335

IUPAC(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine
SMILESC=C/C(N)=C(\C=C)C(C)CC
InChIInChI=1S/C10H17N/c1-5-8(4)9(6-2)10(11)7-3/h6-8H,2-3,5,11H2,1,4H3/b10-9-
InChIKeyAOOGFCDABYAONE-KTKRTIGZSA-N
MW151.25 g/mol
LogP2.62
Rot. Bonds4

About (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine

(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine (PubChem CID 155693335) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine.

Molecular Properties

Compound Name(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine
PubChem CID155693335
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine
SMILESC=C/C(N)=C(\C=C)C(C)CC
InChIInChI=1S/C10H17N/c1-5-8(4)9(6-2)10(11)7-3/h6-8H,2-3,5,11H2,1,4H3/b10-9-
InChIKeyAOOGFCDABYAONE-KTKRTIGZSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.62
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

(3E)-4-ethenyl-3-ethyl-5-methylhepta-1,3-diene
CID 143936258
(3E,5Z,7R)-6,7-dimethylnona-1,3,5-trien-3-amine
CID 145244449
N'-ethenyl-2-methylbutanimidamide
CID 155258668
4-methylhex-1-en-3-one
CID 15724302
(3Z)-3,4-di(propan-2-yl)hexa-1,3,5-triene
CID 145336445
3-ethoxy-4-methoxy-5-methylhepta-1,3-diene
CID 141190796
(3Z,5Z,7E)-4-butan-2-ylnona-3,5,7-trien-3-amine
CID 142546554
(3E,5Z)-4-butan-2-yl-3-(1,1-difluoroethyl)hepta-1,3,5-triene;ethane
CID 145471831
2-methylbutanamide;oxaldehyde
CID 90898555
methane;2-methylbutanamide
CID 158835184
2-(2-amino-2-oxoethylidene)-3-methylpentanoic acid
CID 54203182
(2E)-2-butan-2-ylpenta-2,4-dienoic acid
CID 129274160

Frequently Asked Questions

What is the IUPAC name of (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine?
The IUPAC name of (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine (CID 155693335) is (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine.
What is the SMILES notation for (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine?
The canonical SMILES for (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine is C=C/C(N)=C(\C=C)C(C)CC.
What is the InChIKey of (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine?
The InChIKey is AOOGFCDABYAONE-KTKRTIGZSA-N. The full InChI is InChI=1S/C10H17N/c1-5-8(4)9(6-2)10(11)7-3/h6-8H,2-3,5,11H2,1,4H3/b10-9-.
What are the key properties of (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine?
(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine has a molecular weight of 151.25 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine is sourced from PubChem (CID 155693335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).