1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

C17H24ClN3 — CID 83107760

IUPAC1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2[nH]c3ccccc3c2Cl)CCCC1
InChIInChI=1S/C17H24ClN3/c1-21(2)17(9-5-6-10-17)12-19-11-15-16(18)13-7-3-4-8-14(13)20-15/h3-4,7-8,19-20H,5-6,9-12H2,1-2H3
InChIKeyZWTYDFAMUXMZLH-UHFFFAOYSA-N
MW305.85 g/mol
LogP3.79
Rot. Bonds5

About 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine

1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (PubChem CID 83107760) has the molecular formula C17H24ClN3 and a molecular weight of 305.85 g/mol. Its IUPAC name is 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.

Molecular Properties

Compound Name1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
PubChem CID83107760
Molecular FormulaC17H24ClN3
Molecular Weight305.85 g/mol
Exact Mass305.17
IUPAC Name1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
SMILESCN(C)C1(CNCc2[nH]c3ccccc3c2Cl)CCCC1
InChIInChI=1S/C17H24ClN3/c1-21(2)17(9-5-6-10-17)12-19-11-15-16(18)13-7-3-4-8-14(13)20-15/h3-4,7-8,19-20H,5-6,9-12H2,1-2H3
InChIKeyZWTYDFAMUXMZLH-UHFFFAOYSA-N
XLogP3.79
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.85
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The IUPAC name of 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine (CID 83107760) is 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine.
What is the SMILES notation for 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The canonical SMILES for 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is CN(C)C1(CNCc2[nH]c3ccccc3c2Cl)CCCC1.
What is the InChIKey of 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
The InChIKey is ZWTYDFAMUXMZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN3/c1-21(2)17(9-5-6-10-17)12-19-11-15-16(18)13-7-3-4-8-14(13)20-15/h3-4,7-8,19-20H,5-6,9-12H2,1-2H3.
What are the key properties of 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine?
1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine has a molecular weight of 305.85 g/mol, XLogP of 3.79, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine is sourced from PubChem (CID 83107760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).