N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine

C14H17ClN2 — CID 55258997

IUPACN-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
SMILESClc1ccc2c(ccn2CCCNC2CC2)c1
InChIInChI=1S/C14H17ClN2/c15-12-2-5-14-11(10-12)6-9-17(14)8-1-7-16-13-3-4-13/h2,5-6,9-10,13,16H,1,3-4,7-8H2
InChIKeyXFCRZZPGFKFGBZ-UHFFFAOYSA-N
MW248.76 g/mol
LogP3.44
Rot. Bonds5

About N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine

N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine (PubChem CID 55258997) has the molecular formula C14H17ClN2 and a molecular weight of 248.76 g/mol. Its IUPAC name is N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
PubChem CID55258997
Molecular FormulaC14H17ClN2
Molecular Weight248.76 g/mol
Exact Mass248.11
IUPAC NameN-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine
SMILESClc1ccc2c(ccn2CCCNC2CC2)c1
InChIInChI=1S/C14H17ClN2/c15-12-2-5-14-11(10-12)6-9-17(14)8-1-7-16-13-3-4-13/h2,5-6,9-10,13,16H,1,3-4,7-8H2
InChIKeyXFCRZZPGFKFGBZ-UHFFFAOYSA-N
XLogP3.44
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(5-chloroindol-1-yl)propyl]cyclohexanamine
CID 63879211
N-[2-(5-chloroindol-1-yl)ethyl]oxan-4-amine
CID 63877665
N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
CID 62567358
N-[3-(6-fluoroindol-1-yl)propyl]cyclopropanamine
CID 55087843
1-[3-(cyclohexylamino)propyl]indole-5-carbonitrile
CID 107920048
1-[2-(aziridin-1-yl)ethyl]-5-chloroindole
CID 154694205
N-[2-(5-methylindol-1-yl)ethyl]cyclopropanamine
CID 63556204
N-(3-indol-1-ylpropyl)cyclooctanamine
CID 29267524
1-[(3-chlorophenyl)methyl]-N-(8-indol-1-yloctyl)piperidin-4-amine
CID 118729064
5-chloro-1-(3-ethylsulfonylpropyl)indole
CID 116623147
N-(3-indol-1-ylpropyl)-1-methylpiperidin-4-amine
CID 28716039
N-(2-indol-1-ylethyl)cyclopropanamine
CID 62562475

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine (CID 55258997) is N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine is Clc1ccc2c(ccn2CCCNC2CC2)c1.
What is the InChIKey of N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine?
The InChIKey is XFCRZZPGFKFGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2/c15-12-2-5-14-11(10-12)6-9-17(14)8-1-7-16-13-3-4-13/h2,5-6,9-10,13,16H,1,3-4,7-8H2.
What are the key properties of N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine?
N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine has a molecular weight of 248.76 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-chloroindol-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 55258997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).