11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

C19H29Cl2N3 — CID 56757492

IUPAC11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCc1ccc(CN2CCCN(C)C3(CCN(C)CC3)C2)c(Cl)c1Cl
InChIInChI=1S/C19H29Cl2N3/c1-15-5-6-16(18(21)17(15)20)13-24-10-4-9-23(3)19(14-24)7-11-22(2)12-8-19/h5-6H,4,7-14H2,1-3H3
InChIKeyHYAZWWVEGDGODM-UHFFFAOYSA-N
MW370.37 g/mol
LogP3.90
Rot. Bonds2

About 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane

11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (PubChem CID 56757492) has the molecular formula C19H29Cl2N3 and a molecular weight of 370.37 g/mol. Its IUPAC name is 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.

Molecular Properties

Compound Name11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
PubChem CID56757492
Molecular FormulaC19H29Cl2N3
Molecular Weight370.37 g/mol
Exact Mass369.17
IUPAC Name11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
SMILESCc1ccc(CN2CCCN(C)C3(CCN(C)CC3)C2)c(Cl)c1Cl
InChIInChI=1S/C19H29Cl2N3/c1-15-5-6-16(18(21)17(15)20)13-24-10-4-9-23(3)19(14-24)7-11-22(2)12-8-19/h5-6H,4,7-14H2,1-3H3
InChIKeyHYAZWWVEGDGODM-UHFFFAOYSA-N
XLogP3.90
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.37
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane 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

11-(dibenzofuran-4-ylmethyl)-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 56754580
3,7-dimethyl-11-[(2,4,6-trimethoxyphenyl)methyl]-3,7,11-triazaspiro[5.6]dodecane
CID 56746498
11-[(2-methoxypyrimidin-5-yl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane
CID 131925926
4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56740560
(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)-(4-hydroxy-3-methylphenyl)methanone
CID 56744173
1-(azepan-1-yl)-4-(3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecan-11-yl)butane-1,4-dione
CID 56755352
(3S)-1-[(6-chloro-2-fluoro-3-methylphenyl)methyl]-3-(hydroxymethyl)piperidin-3-ol
CID 95886650
(6R)-4-[(4-methoxy-2,5-dimethylphenyl)methyl]-1,10-dimethyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 100905563
4-[(1-ethylindol-6-yl)methyl]-1,9-dimethyl-1,4,9-triazaspiro[5.5]undecane
CID 56747101
5-chloro-2-[(4-methyl-1,4-diazepan-1-yl)methyl]phenol
CID 118140549
[1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]-3-ethylpiperidin-3-yl]methanol
CID 70766194
1-(7,11-dimethyl-3,7,11-triazaspiro[5.6]dodecan-3-yl)-2-(2,4,6-trimethylphenyl)ethanone
CID 118772715

Frequently Asked Questions

What is the IUPAC name of 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The IUPAC name of 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane (CID 56757492) is 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane.
What is the SMILES notation for 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The canonical SMILES for 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is Cc1ccc(CN2CCCN(C)C3(CCN(C)CC3)C2)c(Cl)c1Cl.
What is the InChIKey of 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
The InChIKey is HYAZWWVEGDGODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29Cl2N3/c1-15-5-6-16(18(21)17(15)20)13-24-10-4-9-23(3)19(14-24)7-11-22(2)12-8-19/h5-6H,4,7-14H2,1-3H3.
What are the key properties of 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane?
11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane has a molecular weight of 370.37 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[(2,3-dichloro-4-methylphenyl)methyl]-3,7-dimethyl-3,7,11-triazaspiro[5.6]dodecane is sourced from PubChem (CID 56757492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).