(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine

C10H17N — CID 138735527

IUPAC(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
SMILESC=C(C)C(/C=C\CC)=C/NC
InChIInChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h6-8,11H,2,5H2,1,3-4H3/b7-6-,10-8+
InChIKeyONAABUQTGRKOEE-VAAURPRASA-N
MW151.25 g/mol
LogP2.63
Rot. Bonds4

About (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine

(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine (PubChem CID 138735527) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
PubChem CID138735527
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine
SMILESC=C(C)C(/C=C\CC)=C/NC
InChIInChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h6-8,11H,2,5H2,1,3-4H3/b7-6-,10-8+
InChIKeyONAABUQTGRKOEE-VAAURPRASA-N
XLogP2.63
TPSA12.03 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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

ethane;(3Z)-2-methylhexa-1,3-diene
CID 142130371
(Z,2E)-2-(methylaminomethylidene)hex-3-enal
CID 143279374
3-ethylidenehept-4-en-2-one
CID 123873548
(4E,5Z)-4-ethylidene-2,3-dimethylocta-2,5-diene
CID 142428664
N-[(2E,4Z)-hepta-2,4-dien-3-yl]-2-methylprop-2-enamide
CID 144714504
(E,2Z)-N-acetyl-2-ethylidenehex-3-enamide
CID 163760417
ethane;ethene;(3Z,5Z)-3-ethenyl-2,4-dimethylocta-1,3,5-triene
CID 145061785
(3Z)-N-tert-butylhexa-1,3-dien-2-amine
CID 155050644
(3E)-N-propan-2-ylhexa-1,3-dien-2-amine
CID 126487478
2-methylhexa-1,3-diene;prop-2-enoic acid
CID 161153984
ethane;(3Z)-hexa-1,3-dien-2-amine;propane
CID 144512893
hex-3-en-2-ylidene(methylidene)azanium
CID 123842188

Frequently Asked Questions

What is the IUPAC name of (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The IUPAC name of (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine (CID 138735527) is (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The canonical SMILES for (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine is C=C(C)C(/C=C\CC)=C/NC.
What is the InChIKey of (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
The InChIKey is ONAABUQTGRKOEE-VAAURPRASA-N. The full InChI is InChI=1S/C10H17N/c1-5-6-7-10(8-11-4)9(2)3/h6-8,11H,2,5H2,1,3-4H3/b7-6-,10-8+.
What are the key properties of (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine?
(1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,3Z)-N-methyl-2-prop-1-en-2-ylhexa-1,3-dien-1-amine is sourced from PubChem (CID 138735527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).