2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine

C20H41N3O — CID 178010853

IUPAC2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine
SMILESC/C=C/CNC(=O)C(C)N.CC.CCCC1=C(NCC)CCCC1
InChIInChI=1S/C11H21N.C7H14N2O.C2H6/c1-3-7-10-8-5-6-9-11(10)12-4-2;1-3-4-5-9-7(10)6(2)8;1-2/h12H,3-9H2,1-2H3;3-4,6H,5,8H2,1-2H3,(H,9,10);1-2H3/b;4-3+;
InChIKeyOVXHEBDBMBYJFL-ITDJAWRYSA-N
MW339.57 g/mol
LogP4.28
Rot. Bonds7

About 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine

2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine (PubChem CID 178010853) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine.

Molecular Properties

Compound Name2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine
PubChem CID178010853
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC Name2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine
SMILESC/C=C/CNC(=O)C(C)N.CC.CCCC1=C(NCC)CCCC1
InChIInChI=1S/C11H21N.C7H14N2O.C2H6/c1-3-7-10-8-5-6-9-11(10)12-4-2;1-3-4-5-9-7(10)6(2)8;1-2/h12H,3-9H2,1-2H3;3-4,6H,5,8H2,1-2H3,(H,9,10);1-2H3/b;4-3+;
InChIKeyOVXHEBDBMBYJFL-ITDJAWRYSA-N
XLogP4.28
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 54.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methylpentadec-2-en-5-yl)acetamide
CID 86166074
N-[2-(cyclohex-1-en-1-yl)ethyl]-N'-(prop-2-en-1-yl)ethanediamide
CID 2915018
2-[(2-cyclohex-1-en-1-ylethyl)amino]-N-cyclopentylpropanamide
CID 50971055
2-(Octadec-2-en-9-ylamino)acetamide
CID 53906528
2-amino-N-octadec-9-enylacetamide
CID 54451459
2-Pentyl-1,2,3,6-tetrahydropyridine-6-carboxamide
CID 69699775
N-(4-butylcyclohex-3-en-1-yl)propanamide
CID 70892562
(9Z)-15-propyl-1,4-diazacyclopentadec-9-en-5-one
CID 71108723
2-(dimethylamino)-N-[(6Z,9Z,28Z,31Z)-heptatriaconta-6,9,28,31-tetraen-19-yl]acetamide
CID 71553414
2-(dimethylamino)-N-[(9Z,28Z)-heptatriaconta-9,28-dien-19-yl]acetamide
CID 71553668
15-Propyl-1,4-diazacyclopentadec-9-en-5-one
CID 78011019
2-(dimethylamino)-N-heptatriaconta-6,9,28,31-tetraen-19-ylacetamide
CID 78109585

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine?
The IUPAC name of 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine (CID 178010853) is 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine.
What is the SMILES notation for 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine?
The canonical SMILES for 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine is C/C=C/CNC(=O)C(C)N.CC.CCCC1=C(NCC)CCCC1.
What is the InChIKey of 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine?
The InChIKey is OVXHEBDBMBYJFL-ITDJAWRYSA-N. The full InChI is InChI=1S/C11H21N.C7H14N2O.C2H6/c1-3-7-10-8-5-6-9-11(10)12-4-2;1-3-4-5-9-7(10)6(2)8;1-2/h12H,3-9H2,1-2H3;3-4,6H,5,8H2,1-2H3,(H,9,10);1-2H3/b;4-3+;.
What are the key properties of 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine?
2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine has a molecular weight of 339.57 g/mol, XLogP of 4.28, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine is sourced from PubChem (CID 178010853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).