ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine

C20H47N3 — CID 143378415

IUPACethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
SMILESC.C.C.CC.CCCN1CCN(C(C)/C=C(/C)N=C(C)C)CC1
InChIInChI=1S/C15H29N3.C2H6.3CH4/c1-6-7-17-8-10-18(11-9-17)15(5)12-14(4)16-13(2)3;1-2;;;/h12,15H,6-11H2,1-5H3;1-2H3;3*1H4/b14-12-;;;;
InChIKeyLESYMPJUFWOVHM-BIPGZBTMSA-N
MW329.62 g/mol
LogP5.72
Rot. Bonds5

About ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine

ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine (PubChem CID 143378415) has the molecular formula C20H47N3 and a molecular weight of 329.62 g/mol. Its IUPAC name is ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine.

Molecular Properties

Compound Nameethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
PubChem CID143378415
Molecular FormulaC20H47N3
Molecular Weight329.62 g/mol
Exact Mass329.38
IUPAC Nameethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
SMILESC.C.C.CC.CCCN1CCN(C(C)/C=C(/C)N=C(C)C)CC1
InChIInChI=1S/C15H29N3.C2H6.3CH4/c1-6-7-17-8-10-18(11-9-17)15(5)12-14(4)16-13(2)3;1-2;;;/h12,15H,6-11H2,1-5H3;1-2H3;3*1H4/b14-12-;;;;
InChIKeyLESYMPJUFWOVHM-BIPGZBTMSA-N
XLogP5.72
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.62
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine 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

(2Z,5Z)-1-N,1-N-dimethyl-4-methylidene-2-(propan-2-ylideneamino)-5-N,5-N-dipropylhepta-2,5-diene-1,5-diamine
CID 138642665
ethane;N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378329
methylidene-[(2S)-1-[(2S)-2-methyl-4-[(E)-pent-2-en-2-yl]piperazin-1-yl]propan-2-yl]-propylazanium
CID 174152280
N-[(Z)-4-(4-hexylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378330
N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine
CID 143378416

Frequently Asked Questions

What is the IUPAC name of ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
The IUPAC name of ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine (CID 143378415) is ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine.
What is the SMILES notation for ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
The canonical SMILES for ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine is C.C.C.CC.CCCN1CCN(C(C)/C=C(/C)N=C(C)C)CC1.
What is the InChIKey of ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
The InChIKey is LESYMPJUFWOVHM-BIPGZBTMSA-N. The full InChI is InChI=1S/C15H29N3.C2H6.3CH4/c1-6-7-17-8-10-18(11-9-17)15(5)12-14(4)16-13(2)3;1-2;;;/h12,15H,6-11H2,1-5H3;1-2H3;3*1H4/b14-12-;;;;.
What are the key properties of ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine?
ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine has a molecular weight of 329.62 g/mol, XLogP of 5.72, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;N-[(Z)-4-(4-propylpiperazin-1-yl)pent-2-en-2-yl]propan-2-imine is sourced from PubChem (CID 143378415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).