(3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine

C14H22N2 — CID 174203857

IUPAC(3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine
SMILESC=C(CC)/C(=C1/C=CN(C)/C1=N\C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-11(4)13(10(2)3)12-8-9-16(6)14(12)15-5/h8-10H,4,7H2,1-3,5-6H3/b13-12-,15-14-
InChIKeyXRWOKTLKMAVWNO-ZJQKOVPWSA-N
MW218.34 g/mol
LogP3.39
Rot. Bonds3

About (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine

(3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine (PubChem CID 174203857) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine.

Molecular Properties

Compound Name(3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine
PubChem CID174203857
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine
SMILESC=C(CC)/C(=C1/C=CN(C)/C1=N\C)C(C)C
InChIInChI=1S/C14H22N2/c1-7-11(4)13(10(2)3)12-8-9-16(6)14(12)15-5/h8-10H,4,7H2,1-3,5-6H3/b13-12-,15-14-
InChIKeyXRWOKTLKMAVWNO-ZJQKOVPWSA-N
XLogP3.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-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

CID 91425885
CID 91425885
CID 118900424
CID 118900424
CID 126660952
CID 126660952
CID 130179056
CID 130179056
CID 130179057
CID 130179057
CID 137255174
CID 137255174
CID 141789634
CID 141789634
CID 144513560
CID 144513560
CID 153553530
CID 153553530
CID 166909240
CID 166909240
CID 168184398
CID 168184398
CID 168257753
CID 168257753

Frequently Asked Questions

What is the IUPAC name of (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine?
The IUPAC name of (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine (CID 174203857) is (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine.
What is the SMILES notation for (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine?
The canonical SMILES for (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine is C=C(CC)/C(=C1/C=CN(C)/C1=N\C)C(C)C.
What is the InChIKey of (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine?
The InChIKey is XRWOKTLKMAVWNO-ZJQKOVPWSA-N. The full InChI is InChI=1S/C14H22N2/c1-7-11(4)13(10(2)3)12-8-9-16(6)14(12)15-5/h8-10H,4,7H2,1-3,5-6H3/b13-12-,15-14-.
What are the key properties of (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine?
(3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine has a molecular weight of 218.34 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N,1-dimethyl-3-(2-methyl-4-methylidenehexan-3-ylidene)pyrrol-2-imine is sourced from PubChem (CID 174203857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).