(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide

C11H18N2O — CID 89429032

IUPAC(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide
SMILESC=CC/C(=C\C(CC=C)C(N)=O)CN
InChIInChI=1S/C11H18N2O/c1-3-5-9(8-12)7-10(6-4-2)11(13)14/h3-4,7,10H,1-2,5-6,8,12H2,(H2,13,14)/b9-7+
InChIKeyPLYUNSHBXFZILX-VQHVLOKHSA-N
MW194.28 g/mol
LogP1.13
Rot. Bonds7

About (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide

(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide (PubChem CID 89429032) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide.

Molecular Properties

Compound Name(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide
PubChem CID89429032
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide
SMILESC=CC/C(=C\C(CC=C)C(N)=O)CN
InChIInChI=1S/C11H18N2O/c1-3-5-9(8-12)7-10(6-4-2)11(13)14/h3-4,7,10H,1-2,5-6,8,12H2,(H2,13,14)/b9-7+
InChIKeyPLYUNSHBXFZILX-VQHVLOKHSA-N
XLogP1.13
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-bis(prop-2-enyl)hexanediamide
CID 121007809
4-amino-3-(aminomethyl)but-2-enamide
CID 88783257
3-ethenylhex-5-en-2-one
CID 529432
(2E)-2-ethylidene-5-methyloct-7-en-1-amine
CID 89126708
N-(6-aminonona-1,5,8-trien-4-yl)prop-2-enamide
CID 173239757
sodium;but-3-enamide;hydride
CID 175440454
pent-4-en-2-ol;urea
CID 88650571
3-hydroxypropyl 2-formylpent-4-enoate
CID 57091353
2-prop-2-enylpent-4-enethioic S-acid
CID 88624358
1-sulfanylsilylbut-3-en-1-one
CID 173002867
2-(ethylamino)pent-4-enamide
CID 129260438
2-prop-2-ynylpent-4-enamide
CID 173278593

Frequently Asked Questions

What is the IUPAC name of (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide?
The IUPAC name of (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide (CID 89429032) is (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide.
What is the SMILES notation for (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide?
The canonical SMILES for (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide is C=CC/C(=C\C(CC=C)C(N)=O)CN.
What is the InChIKey of (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide?
The InChIKey is PLYUNSHBXFZILX-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H18N2O/c1-3-5-9(8-12)7-10(6-4-2)11(13)14/h3-4,7,10H,1-2,5-6,8,12H2,(H2,13,14)/b9-7+.
What are the key properties of (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide?
(3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide has a molecular weight of 194.28 g/mol, XLogP of 1.13, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-(aminomethyl)-2-prop-2-enylhepta-3,6-dienamide is sourced from PubChem (CID 89429032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).