(Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine

C14H25N5 — CID 153331306

IUPAC(Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CN(C(/C=C\C)=N/C)CC(C)(C)N1
InChIInChI=1S/C14H25N5/c1-5-6-13(17-4)19-9-12(11(7-15)8-16)18-14(2,3)10-19/h5-8,12,15,18H,9-10,16H2,1-4H3/b6-5-,11-8+,15-7+,17-13+
InChIKeyZSRLUAPOSFHQIG-PCAGXOTRSA-N
MW263.39 g/mol
LogP1.14
Rot. Bonds3

About (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine

(Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 153331306) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID153331306
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name(Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
SMILES[H]/N=C/C(=C\N)C1CN(C(/C=C\C)=N/C)CC(C)(C)N1
InChIInChI=1S/C14H25N5/c1-5-6-13(17-4)19-9-12(11(7-15)8-16)18-14(2,3)10-19/h5-8,12,15,18H,9-10,16H2,1-4H3/b6-5-,11-8+,15-7+,17-13+
InChIKeyZSRLUAPOSFHQIG-PCAGXOTRSA-N
XLogP1.14
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.39
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-[4-[C-[(E)-1-fluoroprop-1-enyl]-N-methylcarbonimidoyl]-3,6-dimethylpiperazin-2-yl]-3-iminoprop-1-en-1-amine
CID 153331123
(Z)-3-imino-2-[3,5,6-trimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]prop-1-en-1-amine
CID 153330623
(Z)-2-[3,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
CID 153330881
ethane;N'-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]prop-2-enimidamide
CID 166120407
N'-[(E)-2-(piperazin-1-ylmethyl)but-1-enyl]prop-2-enimidamide
CID 166120408

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
The IUPAC name of (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (CID 153331306) is (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine.
What is the SMILES notation for (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
The canonical SMILES for (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine is [H]/N=C/C(=C\N)C1CN(C(/C=C\C)=N/C)CC(C)(C)N1.
What is the InChIKey of (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is ZSRLUAPOSFHQIG-PCAGXOTRSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-6-13(17-4)19-9-12(11(7-15)8-16)18-14(2,3)10-19/h5-8,12,15,18H,9-10,16H2,1-4H3/b6-5-,11-8+,15-7+,17-13+.
What are the key properties of (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine has a molecular weight of 263.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[6,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 153331306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).