N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine

C12H18N2 — CID 80567020

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
SMILESCCCNCC1CNc2ccccc21
InChIInChI=1S/C12H18N2/c1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,13-14H,2,7-9H2,1H3
InChIKeyYVTKXFKDVBTEAT-UHFFFAOYSA-N
MW190.29 g/mol
LogP2.20
Rot. Bonds4

About N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine

N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine (PubChem CID 80567020) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
PubChem CID80567020
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine
SMILESCCCNCC1CNc2ccccc21
InChIInChI=1S/C12H18N2/c1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,13-14H,2,7-9H2,1H3
InChIKeyYVTKXFKDVBTEAT-UHFFFAOYSA-N
XLogP2.20
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.20
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

(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
1-(2,3-dihydro-1H-indol-3-yl)-N-[(1-methylcyclopentyl)methyl]methanamine
CID 80566715
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
N-(2,3-dihydro-1H-indol-3-ylmethyl)-2,2,3,3-tetramethylcyclopropan-1-amine
CID 80566563
N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine
CID 80566537
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]-1-ethylcyclobutan-1-amine
CID 113488821
2-(2,3-dihydro-1H-indol-3-yl)-N-octylacetamide
CID 115567924
3-ethyl-2,3-dihydro-1H-indole;fluorobenzene
CID 174405299
N-butylbutan-1-amine;3-butyl-2,3-dihydro-1H-indole;2-chlorobutane
CID 70573589
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]formamide
CID 89199878
3-(2-methoxyprop-2-enyl)-2,3-dihydro-1H-indole
CID 145312543

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine (CID 80567020) is N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine is CCCNCC1CNc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine?
The InChIKey is YVTKXFKDVBTEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-2-7-13-8-10-9-14-12-6-4-3-5-11(10)12/h3-6,10,13-14H,2,7-9H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine has a molecular weight of 190.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-indol-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 80567020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).