2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine

C16H23N3 — CID 115117895

IUPAC2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine
SMILESCN(c1cn(C)c2ccccc12)C1CCCCC1N
InChIInChI=1S/C16H23N3/c1-18-11-16(12-7-3-5-9-14(12)18)19(2)15-10-6-4-8-13(15)17/h3,5,7,9,11,13,15H,4,6,8,10,17H2,1-2H3
InChIKeyQTPYNVAVUBBWOT-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.88
Rot. Bonds2

About 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine

2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine (PubChem CID 115117895) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine
PubChem CID115117895
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine
SMILESCN(c1cn(C)c2ccccc12)C1CCCCC1N
InChIInChI=1S/C16H23N3/c1-18-11-16(12-7-3-5-9-14(12)18)19(2)15-10-6-4-8-13(15)17/h3,5,7,9,11,13,15H,4,6,8,10,17H2,1-2H3
InChIKeyQTPYNVAVUBBWOT-UHFFFAOYSA-N
XLogP2.88
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-methyl-2-N-phthalazin-1-ylcyclohexane-1,2-diamine
CID 102639442
1-methyl-1-(1-methylindol-3-yl)urea
CID 115168227
2-N-methyl-2-N-(2,3,4-trimethylphenyl)cyclohexane-1,2-diamine
CID 115117930
N-[4-(aminomethyl)phenyl]-N,1-dimethylindol-3-amine
CID 117041625
cyclopentyl-(1-methylindol-3-yl)methanamine
CID 67858246
2-N-methyl-2-N-(1-methylimidazol-2-yl)cyclohexane-1,2-diamine
CID 102639462
2-N-(3-bromo-4-pyridinyl)-2-N-methylcyclohexane-1,2-diamine
CID 102639487
1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
1-methyl-N-(1-methylindol-3-yl)-N-(4-methylphenyl)indol-3-amine
CID 155247618
trans-(1S,2S)-2-[benzyl-[(1-methylindol-3-yl)methyl]amino]cyclohexan-1-ol
CID 95242640
3-amino-1-methyl-1-(1-methylindol-3-yl)urea
CID 115192506
1-N,3-dimethyl-1-N-(1-methylindol-3-yl)butane-1,3-diamine
CID 115200498

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine (CID 115117895) is 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine is CN(c1cn(C)c2ccccc12)C1CCCCC1N.
What is the InChIKey of 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine?
The InChIKey is QTPYNVAVUBBWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-18-11-16(12-7-3-5-9-14(12)18)19(2)15-10-6-4-8-13(15)17/h3,5,7,9,11,13,15H,4,6,8,10,17H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine?
2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(1-methylindol-3-yl)cyclohexane-1,2-diamine is sourced from PubChem (CID 115117895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).