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

C17H28N2 — CID 80567596

IUPACN-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1Cc2ccccc2N1)C(C)CC
InChIInChI=1S/C17H28N2/c1-4-6-11-19(14(3)5-2)13-16-12-15-9-7-8-10-17(15)18-16/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyIELZGLCIXQPMDB-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.92
Rot. Bonds7

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

N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine (PubChem CID 80567596) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine
PubChem CID80567596
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine
SMILESCCCCN(CC1Cc2ccccc2N1)C(C)CC
InChIInChI=1S/C17H28N2/c1-4-6-11-19(14(3)5-2)13-16-12-15-9-7-8-10-17(15)18-16/h7-10,14,16,18H,4-6,11-13H2,1-3H3
InChIKeyIELZGLCIXQPMDB-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
2-nonyl-2,3-dihydro-1H-indole
CID 65041926
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-ethylaniline
CID 80567470
N-(2,3-dihydro-1H-indol-2-ylmethyl)-2-methoxy-N-methylethanamine
CID 80567671
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]-N,2-dimethylbutan-2-amine
CID 112736749
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methyl-2-phenylethanamine
CID 80567527
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
CID 80568085
(2S)-N-butyl-N-methyl-2,3-dihydro-1H-indole-2-carboxamide
CID 61148251
N-propan-2-yl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)pentan-1-amine
CID 106902089
N-butyl-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)butan-1-amine
CID 106901965
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine?
The IUPAC name of N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine (CID 80567596) is N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine.
What is the SMILES notation for N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine?
The canonical SMILES for N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine is CCCCN(CC1Cc2ccccc2N1)C(C)CC.
What is the InChIKey of N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine?
The InChIKey is IELZGLCIXQPMDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-6-11-19(14(3)5-2)13-16-12-15-9-7-8-10-17(15)18-16/h7-10,14,16,18H,4-6,11-13H2,1-3H3.
What are the key properties of N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine?
N-butan-2-yl-N-(2,3-dihydro-1H-indol-2-ylmethyl)butan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.92, 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-2-ylmethyl)butan-1-amine is sourced from PubChem (CID 80567596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).