7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine

C15H25N3 — CID 123367938

IUPAC7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine
SMILESCC(C)/N=C1\C=CC(N2CCNCC2)=CCC1C
InChIInChI=1S/C15H25N3/c1-12(2)17-15-7-6-14(5-4-13(15)3)18-10-8-16-9-11-18/h5-7,12-13,16H,4,8-11H2,1-3H3/b17-15+
InChIKeyNWVCLPQZDSSSKT-BMRADRMJSA-N
MW247.39 g/mol
LogP2.22
Rot. Bonds2

About 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine

7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine (PubChem CID 123367938) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine.

Molecular Properties

Compound Name7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine
PubChem CID123367938
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine
SMILESCC(C)/N=C1\C=CC(N2CCNCC2)=CCC1C
InChIInChI=1S/C15H25N3/c1-12(2)17-15-7-6-14(5-4-13(15)3)18-10-8-16-9-11-18/h5-7,12-13,16H,4,8-11H2,1-3H3/b17-15+
InChIKeyNWVCLPQZDSSSKT-BMRADRMJSA-N
XLogP2.22
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-(4-methylcyclohepta-1,6-dien-1-yl)piperazine
CID 123199460
(4Z)-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 123790750
N'-(7-butan-2-yl-2H-azepin-4-yl)-N,N'-diethylethane-1,2-diamine
CID 139538969
(4Z)-2-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 139538972
2-Ethyl-5-piperazin-1-yl-1-azacyclohepta-1,3,5,6-tetraene
CID 139538974
(E)-N-[3,3-di(cyclohexa-1,5-dien-1-yl)prop-1-en-2-yl]-3-ethenyl-1-(4-methyliminopiperidin-1-yl)pent-3-en-2-amine
CID 141809173
4-N-[(2E,8Z)-6-ethyl-7-methyliminodeca-2,4,8-trienyl]-5-methyl-6-[(2E,4E,6E,8Z)-6-[(4-methylpiperazin-1-yl)methyl]deca-2,4,6,8-tetraenimidoyl]cyclohexa-1,5-diene-1,4-diamine;propane
CID 143463837
(4Z)-N-methyl-6-piperazin-1-ylhepta-4,6-dien-3-imine
CID 155471317
4-piperazin-1-yl-7-propan-2-yl-2H-azepine
CID 155471327
5-[(E)-but-2-en-2-yl]-7-cyclohexa-1,3-dien-1-yl-2-[(Z)-hept-4-en-2-yl]-2,3-dihydro-1H-1,4-diazepine
CID 156412936
(3E,4Z)-N-[(E)-but-1-enyl]-4-ethylidene-5-methyl-3-(1-piperazin-1-ylethylidene)heptan-2-imine
CID 168184264
(Z,3E)-N-[(E)-but-1-enyl]-4-ethyl-3-(1-piperazin-1-ylethylidene)hex-4-en-2-imine
CID 168184782

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine?
The IUPAC name of 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine (CID 123367938) is 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine.
What is the SMILES notation for 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine?
The canonical SMILES for 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine is CC(C)/N=C1\C=CC(N2CCNCC2)=CCC1C.
What is the InChIKey of 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine?
The InChIKey is NWVCLPQZDSSSKT-BMRADRMJSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)17-15-7-6-14(5-4-13(15)3)18-10-8-16-9-11-18/h5-7,12-13,16H,4,8-11H2,1-3H3/b17-15+.
What are the key properties of 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine?
7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine has a molecular weight of 247.39 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-piperazin-1-yl-N-propan-2-ylcyclohepta-2,4-dien-1-imine is sourced from PubChem (CID 123367938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).