(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

C15H27N5 — CID 153330623

IUPAC(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
SMILES[H]/N=C/C(=C\N)C1NC(C)C(C)N(C(/C=C\C)=N/C)C1C
InChIInChI=1S/C15H27N5/c1-6-7-14(18-5)20-11(3)10(2)19-15(12(20)4)13(8-16)9-17/h6-12,15-16,19H,17H2,1-5H3/b7-6-,13-9+,16-8+,18-14+
InChIKeyPLACDBIQOXHXFT-AFUOQSNNSA-N
MW277.42 g/mol
LogP1.52
Rot. Bonds3

About (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

(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 (PubChem CID 153330623) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID153330623
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name(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
SMILES[H]/N=C/C(=C\N)C1NC(C)C(C)N(C(/C=C\C)=N/C)C1C
InChIInChI=1S/C15H27N5/c1-6-7-14(18-5)20-11(3)10(2)19-15(12(20)4)13(8-16)9-17/h6-12,15-16,19H,17H2,1-5H3/b7-6-,13-9+,16-8+,18-14+
InChIKeyPLACDBIQOXHXFT-AFUOQSNNSA-N
XLogP1.52
TPSA77.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.52
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)-3-imino-2-[3,5,6-trimethyl-4-[N-methyl-C-[(Z)-prop-1-enyl]carbonimidoyl]piperazin-2-yl]prop-1-en-1-amine?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is [H]/N=C/C(=C\N)C1NC(C)C(C)N(C(/C=C\C)=N/C)C1C.
What is the InChIKey of (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?
The InChIKey is PLACDBIQOXHXFT-AFUOQSNNSA-N. The full InChI is InChI=1S/C15H27N5/c1-6-7-14(18-5)20-11(3)10(2)19-15(12(20)4)13(8-16)9-17/h6-12,15-16,19H,17H2,1-5H3/b7-6-,13-9+,16-8+,18-14+.
What are the key properties of (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?
(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 has a molecular weight of 277.42 g/mol, XLogP of 1.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (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 is sourced from PubChem (CID 153330623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).