N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine

C14H18N2 — CID 84622010

IUPACN-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
SMILESCc1ccc2c(CNC3CC3)c[nH]c2c1C
InChIInChI=1S/C14H18N2/c1-9-3-6-13-11(7-15-12-4-5-12)8-16-14(13)10(9)2/h3,6,8,12,15-16H,4-5,7H2,1-2H3
InChIKeyCLFUSOLHDBYMSN-UHFFFAOYSA-N
MW214.31 g/mol
LogP3.04
Rot. Bonds3

About N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine

N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine (PubChem CID 84622010) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
PubChem CID84622010
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC NameN-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
SMILESCc1ccc2c(CNC3CC3)c[nH]c2c1C
InChIInChI=1S/C14H18N2/c1-9-3-6-13-11(7-15-12-4-5-12)8-16-14(13)10(9)2/h3,6,8,12,15-16H,4-5,7H2,1-2H3
InChIKeyCLFUSOLHDBYMSN-UHFFFAOYSA-N
XLogP3.04
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3,6,7-trimethyl-1H-indol-2-yl)methyl]cyclopropanamine
CID 84625621
2-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopentan-1-amine
CID 84630491
4-[(6-chloro-1H-indol-3-yl)methylamino]cyclohexan-1-ol
CID 78968534
N-[(6-chloro-1H-indol-3-yl)methyl]-4-methylcyclohexan-1-amine
CID 78968600
N-[3-(4,7-dimethyl-1H-indol-3-yl)propyl]cyclopropanamine
CID 96674667
N-[2-(5,7-dimethyl-1H-indol-3-yl)ethyl]cyclopropanamine
CID 82494846
N-[(2-methoxy-3,4-dimethylphenyl)methyl]cyclopentanamine
CID 97179137
N-[(2,3-dimethylphenyl)methyl]cyclopentanamine
CID 60657498
N-[(4-methyl-1H-indol-3-yl)methyl]cyclobutanamine
CID 117184532
N-[2-(2,6,7-trimethyl-1H-indol-3-yl)ethyl]cyclopentanamine
CID 96679083
4-[(cyclopropylamino)methyl]-N-ethyl-N,3-dimethylaniline
CID 62136200
2-(6,7-dimethyl-1H-indol-3-yl)cyclopentan-1-amine
CID 54319398

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine (CID 84622010) is N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine is Cc1ccc2c(CNC3CC3)c[nH]c2c1C.
What is the InChIKey of N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
The InChIKey is CLFUSOLHDBYMSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-9-3-6-13-11(7-15-12-4-5-12)8-16-14(13)10(9)2/h3,6,8,12,15-16H,4-5,7H2,1-2H3.
What are the key properties of N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine has a molecular weight of 214.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 84622010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).