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

C16H26N2 — CID 80566537

IUPACN-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1CNc2ccccc21
InChIInChI=1S/C16H26N2/c1-3-4-5-8-13(2)17-11-14-12-18-16-10-7-6-9-15(14)16/h6-7,9-10,13-14,17-18H,3-5,8,11-12H2,1-2H3
InChIKeyQIDRQFQBNJYVMH-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.75
Rot. Bonds7

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

N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine (PubChem CID 80566537) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine
PubChem CID80566537
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC NameN-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine
SMILESCCCCCC(C)NCC1CNc2ccccc21
InChIInChI=1S/C16H26N2/c1-3-4-5-8-13(2)17-11-14-12-18-16-10-7-6-9-15(14)16/h6-7,9-10,13-14,17-18H,3-5,8,11-12H2,1-2H3
InChIKeyQIDRQFQBNJYVMH-UHFFFAOYSA-N
XLogP3.75
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.75
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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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine?
The IUPAC name of N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine (CID 80566537) is N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine.
What is the SMILES notation for N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine?
The canonical SMILES for N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine is CCCCCC(C)NCC1CNc2ccccc21.
What is the InChIKey of N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine?
The InChIKey is QIDRQFQBNJYVMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-3-4-5-8-13(2)17-11-14-12-18-16-10-7-6-9-15(14)16/h6-7,9-10,13-14,17-18H,3-5,8,11-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine?
N-(2,3-dihydro-1H-indol-3-ylmethyl)heptan-2-amine has a molecular weight of 246.40 g/mol, XLogP of 3.75, 7 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)heptan-2-amine is sourced from PubChem (CID 80566537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).