(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane

C30H64N4O — CID 143116671

IUPAC(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane
SMILESCC.CC.CC.CCCCC/C(=C/C(N)C(=O)NC/C=C(\CCC)CN(C)C)NC1CCCCC1
InChIInChI=1S/C24H46N4O.3C2H6/c1-5-7-9-15-22(27-21-13-10-8-11-14-21)18-23(25)24(29)26-17-16-20(12-6-2)19-28(3)4;3*1-2/h16,18,21,23,27H,5-15,17,19,25H2,1-4H3,(H,26,29);3*1-2H3/b20-16+,22-18-;;;
InChIKeyTZYOWYVFKLBLBC-FNINEOSOSA-N
MW496.87 g/mol
LogP7.18
Rot. Bonds14

About (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane

(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane (PubChem CID 143116671) has the molecular formula C30H64N4O and a molecular weight of 496.87 g/mol. Its IUPAC name is (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane.

Molecular Properties

Compound Name(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane
PubChem CID143116671
Molecular FormulaC30H64N4O
Molecular Weight496.87 g/mol
Exact Mass496.51
IUPAC Name(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane
SMILESCC.CC.CC.CCCCC/C(=C/C(N)C(=O)NC/C=C(\CCC)CN(C)C)NC1CCCCC1
InChIInChI=1S/C24H46N4O.3C2H6/c1-5-7-9-15-22(27-21-13-10-8-11-14-21)18-23(25)24(29)26-17-16-20(12-6-2)19-28(3)4;3*1-2/h16,18,21,23,27H,5-15,17,19,25H2,1-4H3,(H,26,29);3*1-2H3/b20-16+,22-18-;;;
InChIKeyTZYOWYVFKLBLBC-FNINEOSOSA-N
XLogP7.18
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.87
LogP ≤ 57.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane with MolForge

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Launch Full Analysis

Related Compounds

2-(cyclohexylamino)-N-methyl-N-(5-methylcyclohepta-1,4,6-trien-1-yl)acetamide
CID 67562649
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CID 71188532
N-(1-cyclohexyl-4-ethenyl-5-methyl-2-oxo-3H-pyrrol-3-yl)-2-(cyclopentylamino)-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]acetamide
CID 88575177
N-[(E)-1-[(4E)-4-[(Z)-2,3-diaminoprop-2-enylidene]piperidin-2-yl]pent-2-en-3-yl]-N-ethylpropanamide
CID 89164501
N-cyclohexyl-2-[[2-(cyclopentylamino)acetyl]-(2-methylhepta-1,3,5-trien-4-yl)amino]-3-ethenyl-4-methylpent-3-enamide
CID 123437882
(2S)-2-amino-N-(3-methylbut-3-en-2-yl)propanamide;(6E)-2,6-dimethylnona-2,6-diene
CID 143125755
3-(cyclohexylamino)-4-methyl-1,2-dihydropyrrol-5-one;(4Z,6Z)-nona-4,6-dien-2-amine
CID 145512982
(E)-N-[2-[2-[2-aminoethyl(methyl)amino]ethyl-methylamino]ethyl]-4-ethyl-2-(methylamino)hex-4-enamide
CID 155353255
2,6-diamino-N-(2-aminoethyl)-N-[2-[2-aminoethyl-[(E)-4,8-diaminooct-2-en-3-yl]amino]ethyl]hexanamide
CID 163813884
2-[7-(methylamino)hept-1-en-2-ylamino]-N-[2-[2-[2-(5-methylhex-5-enylamino)prop-2-enylamino]prop-2-enylamino]prop-2-enyl]acetamide
CID 170189150
2-[[(2E,4E)-2-[4-(dimethylamino)butyl]-5-[(2-formamidoacetyl)amino]hexa-2,4-dienyl]-methylamino]-3-methyl-N-(2-methylpropyl)butanamide
CID 175632864
2-amino-N-[(E)-but-2-enyl]propanamide;ethane;N-ethyl-2-propylcyclohexen-1-amine
CID 178010853

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane?
The IUPAC name of (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane (CID 143116671) is (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane.
What is the SMILES notation for (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane?
The canonical SMILES for (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane is CC.CC.CC.CCCCC/C(=C/C(N)C(=O)NC/C=C(\CCC)CN(C)C)NC1CCCCC1.
What is the InChIKey of (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane?
The InChIKey is TZYOWYVFKLBLBC-FNINEOSOSA-N. The full InChI is InChI=1S/C24H46N4O.3C2H6/c1-5-7-9-15-22(27-21-13-10-8-11-14-21)18-23(25)24(29)26-17-16-20(12-6-2)19-28(3)4;3*1-2/h16,18,21,23,27H,5-15,17,19,25H2,1-4H3,(H,26,29);3*1-2H3/b20-16+,22-18-;;;.
What are the key properties of (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane?
(Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane has a molecular weight of 496.87 g/mol, XLogP of 7.18, 14 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-4-(cyclohexylamino)-N-[(E)-3-[(dimethylamino)methyl]hex-2-enyl]non-3-enamide;ethane is sourced from PubChem (CID 143116671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).