4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine

C16H23N3 — CID 107235605

IUPAC4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCn1cc(CNC2CCC(N)CC2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-19-11-12(15-4-2-3-5-16(15)19)10-18-14-8-6-13(17)7-9-14/h2-5,11,13-14,18H,6-10,17H2,1H3
InChIKeyMIGOSVUZQGAIFR-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.54
Rot. Bonds3

About 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine

4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine (PubChem CID 107235605) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
PubChem CID107235605
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine
SMILESCn1cc(CNC2CCC(N)CC2)c2ccccc21
InChIInChI=1S/C16H23N3/c1-19-11-12(15-4-2-3-5-16(15)19)10-18-14-8-6-13(17)7-9-14/h2-5,11,13-14,18H,6-10,17H2,1H3
InChIKeyMIGOSVUZQGAIFR-UHFFFAOYSA-N
XLogP2.54
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-N-[(1-methylindol-3-yl)methyl]cyclopentane-1,2-diamine
CID 115117392
2-[(1-methylindol-3-yl)methylamino]cycloheptan-1-ol
CID 107236127
5,5-dimethyl-N-[(1-methylindol-3-yl)methyl]pyrrolidin-3-amine
CID 115145902
N-[(1-methylindol-3-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 107236024
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
N-[2-(1-methylindol-3-yl)ethyl]cyclopentanamine
CID 82477892
1-[2-(1-methylindol-3-yl)ethyl]piperidin-4-amine;hydrate
CID 21128537
N-cyclopentyloxy-1-(1-methylindol-3-yl)methanamine
CID 107236114
2,2-dimethyl-N-[(1-methylindol-3-yl)methyl]cyclopentan-1-amine
CID 107235903
N-[(1-methylindol-3-yl)methyl]-2,3-dihydro-1H-inden-1-amine
CID 107234743
4-N-(1-benzofuran-3-ylmethyl)cyclohexane-1,4-diamine
CID 80700876
4-N-[(2-ethylphenyl)methyl]cyclohexane-1,4-diamine
CID 55067066

Frequently Asked Questions

What is the IUPAC name of 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine?
The IUPAC name of 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine (CID 107235605) is 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine is Cn1cc(CNC2CCC(N)CC2)c2ccccc21.
What is the InChIKey of 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine?
The InChIKey is MIGOSVUZQGAIFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-11-12(15-4-2-3-5-16(15)19)10-18-14-8-6-13(17)7-9-14/h2-5,11,13-14,18H,6-10,17H2,1H3.
What are the key properties of 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine?
4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine has a molecular weight of 257.38 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(1-methylindol-3-yl)methyl]cyclohexane-1,4-diamine is sourced from PubChem (CID 107235605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).