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

C15H24N2 — CID 80567043

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
SMILESCCCCCN(C)CC1CNc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-4-7-10-17(2)12-13-11-16-15-9-6-5-8-14(13)15/h5-6,8-9,13,16H,3-4,7,10-12H2,1-2H3
InChIKeySWNIIWWJDCHQKK-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.32
Rot. Bonds6

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

N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine (PubChem CID 80567043) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
PubChem CID80567043
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine
SMILESCCCCCN(C)CC1CNc2ccccc21
InChIInChI=1S/C15H24N2/c1-3-4-7-10-17(2)12-13-11-16-15-9-6-5-8-14(13)15/h5-6,8-9,13,16H,3-4,7,10-12H2,1-2H3
InChIKeySWNIIWWJDCHQKK-UHFFFAOYSA-N
XLogP3.32
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.32
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'-(2,3-dihydro-1H-indol-3-ylmethyl)-N,N,N'-trimethylethane-1,2-diamine
CID 80566631
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylethanamine
CID 80567242
N-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-N-methyloctan-1-amine
CID 23382324
(3R)-3-ethyl-2,3-dihydro-1H-indole
CID 92797412
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N,4-dimethylpentan-2-amine
CID 80566591
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 80566592
N-(2,3-dihydro-1H-indol-3-ylmethyl)-4-ethyl-N-methylaniline
CID 80566627
N-[2-(2,3-dihydro-1H-indol-3-yl)ethyl]octan-1-amine
CID 115568760
N-(2,3-dihydro-1H-indol-3-ylmethyl)-3-methoxy-N-(2-methoxyethyl)propan-1-amine
CID 80566812
N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine
CID 80566537
N-methyl-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)propan-1-amine
CID 65262509
2-(2,3-dihydro-1H-indol-3-yl)-N-pentylacetamide
CID 80573792

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine (CID 80567043) is N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine is CCCCCN(C)CC1CNc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine?
The InChIKey is SWNIIWWJDCHQKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-3-4-7-10-17(2)12-13-11-16-15-9-6-5-8-14(13)15/h5-6,8-9,13,16H,3-4,7,10-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)-N-methylpentan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 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)-N-methylpentan-1-amine is sourced from PubChem (CID 80567043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).