(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine

C29H45N5 — CID 153382935

IUPAC(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine
SMILESC=c1ccc(-c2cc3nc(C)[nH]c3cn2)c/c1=C/N(C)C.CC.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H18N4.C10H21N.C2H6/c1-11-5-6-13(7-14(11)10-21(3)4)15-8-16-17(9-18-15)20-12(2)19-16;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h5-10H,1H2,2-4H3,(H,19,20);8,11H,6-7H2,1-5H3;1-2H3/b14-10-;;
InChIKeyOQKSPDJKETXORC-UFMFWQRBSA-N
MW463.71 g/mol
LogP5.23
Rot. Bonds2

About (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine

(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine (PubChem CID 153382935) has the molecular formula C29H45N5 and a molecular weight of 463.71 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine
PubChem CID153382935
Molecular FormulaC29H45N5
Molecular Weight463.71 g/mol
Exact Mass463.37
IUPAC Name(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine
SMILESC=c1ccc(-c2cc3nc(C)[nH]c3cn2)c/c1=C/N(C)C.CC.CC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C17H18N4.C10H21N.C2H6/c1-11-5-6-13(7-14(11)10-21(3)4)15-8-16-17(9-18-15)20-12(2)19-16;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h5-10H,1H2,2-4H3,(H,19,20);8,11H,6-7H2,1-5H3;1-2H3/b14-10-;;
InChIKeyOQKSPDJKETXORC-UFMFWQRBSA-N
XLogP5.23
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.71
LogP ≤ 55.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine?
The IUPAC name of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine (CID 153382935) is (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine.
What is the SMILES notation for (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine?
The canonical SMILES for (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine is C=c1ccc(-c2cc3nc(C)[nH]c3cn2)c/c1=C/N(C)C.CC.CC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine?
The InChIKey is OQKSPDJKETXORC-UFMFWQRBSA-N. The full InChI is InChI=1S/C17H18N4.C10H21N.C2H6/c1-11-5-6-13(7-14(11)10-21(3)4)15-8-16-17(9-18-15)20-12(2)19-16;1-8-6-9(2,3)11-10(4,5)7-8;1-2/h5-10H,1H2,2-4H3,(H,19,20);8,11H,6-7H2,1-5H3;1-2H3/b14-10-;;.
What are the key properties of (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine?
(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine has a molecular weight of 463.71 g/mol, XLogP of 5.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine is sourced from PubChem (CID 153382935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).