(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

C10H17N — CID 142097121

IUPAC(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(C)CN
InChIInChI=1S/C10H17N/c1-4-6-10(7-5-2)9(3)8-11/h4-7,9H,1,8,11H2,2-3H3/b7-5-,10-6+
InChIKeyMUGAWDGEDVXSBF-ZPRNNRRZSA-N
MW151.25 g/mol
LogP2.27
Rot. Bonds4

About (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine

(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (PubChem CID 142097121) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.

Molecular Properties

Compound Name(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
PubChem CID142097121
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine
SMILESC=C/C=C(\C=C/C)C(C)CN
InChIInChI=1S/C10H17N/c1-4-6-10(7-5-2)9(3)8-11/h4-7,9H,1,8,11H2,2-3H3/b7-5-,10-6+
InChIKeyMUGAWDGEDVXSBF-ZPRNNRRZSA-N
XLogP2.27
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 ≤ 52.27
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

2-Aminoethylazanide; chlororuthenium(2+); 1-isopropyl-4-methyl-benzene-5-ide
CID 86574471
Dihydrobenzylamine
CID 12635460
3,4-Dihydrophenylethyl-amine
CID 21074092
(4E,6E)-octa-4,6-dien-1-amine
CID 55290579
2-Buta-1,3-dienylbutane-1,4-diamine
CID 123937470
2-(4-Fluoro-3-methylcyclohexa-1,5-dien-1-yl)ethanamine
CID 89024296
(Z)-2-ethyl-5-fluorohex-3-en-1-amine
CID 89090863
(3E,5E)-6-fluoro-3-methylocta-3,5,7-trien-1-amine
CID 89099064
2-[(4R)-4-fluoro-3-methylcyclohexa-1,5-dien-1-yl]ethanamine
CID 89191433
(1-Fluoro-4-methylcyclohexa-2,4-dien-1-yl)methanamine
CID 89270262
(Z,3Z)-3-(2-fluoroethylidene)hept-4-en-1-amine
CID 89295784
(3Z,4Z)-3-(2-fluoroethylidene)hepta-4,6-dien-1-amine
CID 89296028

Frequently Asked Questions

What is the IUPAC name of (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The IUPAC name of (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine (CID 142097121) is (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine.
What is the SMILES notation for (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The canonical SMILES for (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is C=C/C=C(\C=C/C)C(C)CN.
What is the InChIKey of (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
The InChIKey is MUGAWDGEDVXSBF-ZPRNNRRZSA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-10(7-5-2)9(3)8-11/h4-7,9H,1,8,11H2,2-3H3/b7-5-,10-6+.
What are the key properties of (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine?
(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-amine is sourced from PubChem (CID 142097121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).