N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine

C17H28N2 — CID 114327155

IUPACN-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1cccc2c1NCC2)C(C)CC
InChIInChI=1S/C17H28N2/c1-4-6-12-19(14(3)5-2)13-16-9-7-8-15-10-11-18-17(15)16/h7-9,14,18H,4-6,10-13H2,1-3H3
InChIKeyGFLYIJIDNWTWQX-UHFFFAOYSA-N
MW260.42 g/mol
LogP4.06
Rot. Bonds7

About N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine

N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine (PubChem CID 114327155) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine
PubChem CID114327155
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC NameN-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine
SMILESCCCCN(Cc1cccc2c1NCC2)C(C)CC
InChIInChI=1S/C17H28N2/c1-4-6-12-19(14(3)5-2)13-16-9-7-8-15-10-11-18-17(15)16/h7-9,14,18H,4-6,10-13H2,1-3H3
InChIKeyGFLYIJIDNWTWQX-UHFFFAOYSA-N
XLogP4.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine?
The IUPAC name of N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine (CID 114327155) is N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine is CCCCN(Cc1cccc2c1NCC2)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine?
The InChIKey is GFLYIJIDNWTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-12-19(14(3)5-2)13-16-9-7-8-15-10-11-18-17(15)16/h7-9,14,18H,4-6,10-13H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine?
N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine has a molecular weight of 260.42 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-(2,3-dihydro-1H-indol-7-ylmethyl)butan-1-amine is sourced from PubChem (CID 114327155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).