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

C14H25N5 — CID 153330881

IUPAC(Z)-2-[3,6-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)C1NC(C)CN(C(/C=C\C)=N/C)C1C
InChIInChI=1S/C14H25N5/c1-5-6-13(17-4)19-9-10(2)18-14(11(19)3)12(7-15)8-16/h5-8,10-11,14-15,18H,9,16H2,1-4H3/b6-5-,12-8+,15-7+,17-13+
InChIKeyJBQGJMWHHRZCTK-ABMXMHBUSA-N
MW263.39 g/mol
LogP1.13
Rot. Bonds3

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

(Z)-2-[3,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (PubChem CID 153330881) has the molecular formula C14H25N5 and a molecular weight of 263.39 g/mol. Its IUPAC name is (Z)-2-[3,6-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-[3,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine
PubChem CID153330881
Molecular FormulaC14H25N5
Molecular Weight263.39 g/mol
Exact Mass263.21
IUPAC Name(Z)-2-[3,6-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)C1NC(C)CN(C(/C=C\C)=N/C)C1C
InChIInChI=1S/C14H25N5/c1-5-6-13(17-4)19-9-10(2)18-14(11(19)3)12(7-15)8-16/h5-8,10-11,14-15,18H,9,16H2,1-4H3/b6-5-,12-8+,15-7+,17-13+
InChIKeyJBQGJMWHHRZCTK-ABMXMHBUSA-N
XLogP1.13
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 ≤ 51.13
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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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3,6-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-[3,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine (CID 153330881) is (Z)-2-[3,6-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-[3,6-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-[3,6-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)C1NC(C)CN(C(/C=C\C)=N/C)C1C.
What is the InChIKey of (Z)-2-[3,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
The InChIKey is JBQGJMWHHRZCTK-ABMXMHBUSA-N. The full InChI is InChI=1S/C14H25N5/c1-5-6-13(17-4)19-9-10(2)18-14(11(19)3)12(7-15)8-16/h5-8,10-11,14-15,18H,9,16H2,1-4H3/b6-5-,12-8+,15-7+,17-13+.
What are the key properties of (Z)-2-[3,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine?
(Z)-2-[3,6-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 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[3,6-dimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]-3-iminoprop-1-en-1-amine is sourced from PubChem (CID 153330881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).