(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane

C15H31N5O2 — CID 145488365

IUPAC(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
SMILESCC/N=C(/C=C(/C)N)C(=O)NC(CCCN)C(N)=O.CCC
InChIInChI=1S/C12H23N5O2.C3H8/c1-3-16-10(7-8(2)14)12(19)17-9(11(15)18)5-4-6-13;1-3-2/h7,9H,3-6,13-14H2,1-2H3,(H2,15,18)(H,17,19);3H2,1-2H3/b8-7-,16-10-;
InChIKeyTXRMJIANSBYMTI-QQOZWGATSA-N
MW313.45 g/mol
LogP0.44
Rot. Bonds8

About (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane

(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane (PubChem CID 145488365) has the molecular formula C15H31N5O2 and a molecular weight of 313.45 g/mol. Its IUPAC name is (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane.

Molecular Properties

Compound Name(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
PubChem CID145488365
Molecular FormulaC15H31N5O2
Molecular Weight313.45 g/mol
Exact Mass313.25
IUPAC Name(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane
SMILESCC/N=C(/C=C(/C)N)C(=O)NC(CCCN)C(N)=O.CCC
InChIInChI=1S/C12H23N5O2.C3H8/c1-3-16-10(7-8(2)14)12(19)17-9(11(15)18)5-4-6-13;1-3-2/h7,9H,3-6,13-14H2,1-2H3,(H2,15,18)(H,17,19);3H2,1-2H3/b8-7-,16-10-;
InChIKeyTXRMJIANSBYMTI-QQOZWGATSA-N
XLogP0.44
TPSA136.59 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 50.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane with MolForge

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Launch Full Analysis

Related Compounds

(2R)-2-amino-N-[2-(4,6-dimethyl-2-oxopyrimidin-1-yl)ethyl]-4-methylpentanamide
CID 56871875
2-(2-Iminopent-3-enoylamino)pentanediamide
CID 123237024
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide
CID 135173846
(Z)-N-(2,6-dioxopiperidin-3-yl)-2-ethenyliminopent-3-enamide;ethane
CID 142390396
N-[(E)-4-iminopent-2-en-3-yl]-N-methyl-2-(propan-2-ylamino)butanamide
CID 144211842
(Z)-4-amino-N-[(2S)-1,5-diamino-1-oxopentan-2-yl]-2-methyliminopent-3-enamide
CID 145488244
(2S)-N-(2-amino-2-oxoethyl)-5-[[(Z)-but-2-en-2-yl]amino]-2-(methylamino)pentanamide
CID 153354640
(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide
CID 155188210
N-[(2S)-1,5-dioxopentan-2-yl]-2-ethylimino-4-(methylamino)pent-3-enamide
CID 173486664
N-cyclohexyl-2-{[2-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)ethyl]amino}butanamide
CID 50980300
(4R)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56706783
(4S)-4-amino-1-[3-(4,6-dimethyl-2-oxopyrimidin-1(2H)-yl)propanoyl]-N-ethyl-L-prolinamide
CID 56708410

Frequently Asked Questions

What is the IUPAC name of (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane?
The IUPAC name of (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane (CID 145488365) is (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane.
What is the SMILES notation for (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane?
The canonical SMILES for (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane is CC/N=C(/C=C(/C)N)C(=O)NC(CCCN)C(N)=O.CCC.
What is the InChIKey of (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane?
The InChIKey is TXRMJIANSBYMTI-QQOZWGATSA-N. The full InChI is InChI=1S/C12H23N5O2.C3H8/c1-3-16-10(7-8(2)14)12(19)17-9(11(15)18)5-4-6-13;1-3-2/h7,9H,3-6,13-14H2,1-2H3,(H2,15,18)(H,17,19);3H2,1-2H3/b8-7-,16-10-;.
What are the key properties of (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane?
(Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane has a molecular weight of 313.45 g/mol, XLogP of 0.44, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-amino-N-(1,5-diamino-1-oxopentan-2-yl)-2-ethyliminopent-3-enamide;propane is sourced from PubChem (CID 145488365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).