N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

C16H24ClN3 — CID 106040713

IUPACN-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C16H24ClN3/c1-12(2)20(3)10-6-9-18-11-15-16(17)13-7-4-5-8-14(13)19-15/h4-5,7-8,12,18-19H,6,9-11H2,1-3H3
InChIKeyFHFOGDWZQIWSEO-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.64
Rot. Bonds7

About N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine

N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 106040713) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
PubChem CID106040713
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC NameN-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(C)CCCNCc1[nH]c2ccccc2c1Cl
InChIInChI=1S/C16H24ClN3/c1-12(2)20(3)10-6-9-18-11-15-16(17)13-7-4-5-8-14(13)19-15/h4-5,7-8,12,18-19H,6,9-11H2,1-3H3
InChIKeyFHFOGDWZQIWSEO-UHFFFAOYSA-N
XLogP3.64
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.64
H-Bond Donors ≤ 52
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-chloro-1H-indol-2-yl)methyl]pent-4-yn-1-amine
CID 114159971
tert-butyl N-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethyl]-N-methylcarbamate
CID 107245125
1-[[(3-chloro-1H-indol-2-yl)methylamino]methyl]-N,N-dimethylcyclopentan-1-amine
CID 83107760
2-[(3-chloro-1H-indol-2-yl)methylamino]-N-ethylethanesulfonamide
CID 106334546
N-[(3-chloro-1H-indol-2-yl)methyl]-2,2-difluoroethanamine
CID 115406062
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-ethylphenyl)methanamine
CID 64681357
N-(1-benzofuran-3-ylmethyl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103826256
N-[(2-ethylphenyl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 106040849
2-[2-[(3-chloro-1H-indol-2-yl)methylamino]ethoxy]acetamide
CID 106235822
N-[(2-chloro-1-benzofuran-3-yl)methyl]-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 82711815
N'-methyl-N'-propan-2-yl-N-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 106045508
N-[(3-chloro-1H-indol-2-yl)methyl]-1-(2-methylcyclopropyl)methanamine
CID 113463718

Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine (CID 106040713) is N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(C)CCCNCc1[nH]c2ccccc2c1Cl.
What is the InChIKey of N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is FHFOGDWZQIWSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-12(2)20(3)10-6-9-18-11-15-16(17)13-7-4-5-8-14(13)19-15/h4-5,7-8,12,18-19H,6,9-11H2,1-3H3.
What are the key properties of N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine?
N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 293.84 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-1H-indol-2-yl)methyl]-N'-methyl-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 106040713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).