N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine

C17H26N2 — CID 156849664

IUPACN-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCN(Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C17H26N2/c1-13(2)9-10-19(14(3)4)12-15-11-18-17-8-6-5-7-16(15)17/h5-8,11,13-14,18H,9-10,12H2,1-4H3
InChIKeyKRKRPNCOUQSWNQ-UHFFFAOYSA-N
MW258.41 g/mol
LogP4.42
Rot. Bonds6

About N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine

N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 156849664) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
PubChem CID156849664
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)CCN(Cc1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C17H26N2/c1-13(2)9-10-19(14(3)4)12-15-11-18-17-8-6-5-7-16(15)17/h5-8,11,13-14,18H,9-10,12H2,1-4H3
InChIKeyKRKRPNCOUQSWNQ-UHFFFAOYSA-N
XLogP4.42
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[2-(1H-indol-3-yl)ethyl]-3-methyl-N-propylbutan-1-amine
CID 53494545
N-(1H-indol-3-ylmethyl)-N-methylpropan-1-amine
CID 142231865
2-[1H-indol-3-ylmethyl(methyl)amino]propanenitrile
CID 115130271
N'-(1H-indol-3-ylmethyl)-N'-methyl-N-propan-2-ylethane-1,2-diamine
CID 113409137
[2-(1H-indol-3-yl)ethyl-(2-methylpropyl)amino]methanol
CID 71261395
N'-(1H-indol-3-ylmethyl)-N,N,N'-trimethylethene-1,2-diamine
CID 66852692
N-ethyl-N-[2-(1H-indol-3-yl)ethyl]butan-2-amine
CID 168947075
3-[1H-indol-3-ylmethyl(methyl)amino]-2-methylpropanoic acid
CID 65067496
2-(1H-indol-3-yl)-N-propan-2-yl-N-propylacetamide
CID 43583126
N-(1H-indol-3-ylmethyl)-N-(2-phenylpropyl)aniline
CID 71677022
3-(2-fluoropropyl)-1H-indole
CID 142409179
N-[2-(1H-indol-3-yl)ethyl]-2-[3-methylbutyl(methylsulfonyl)amino]acetamide
CID 113153236

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine (CID 156849664) is N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine is CC(C)CCN(Cc1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is KRKRPNCOUQSWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)9-10-19(14(3)4)12-15-11-18-17-8-6-5-7-16(15)17/h5-8,11,13-14,18H,9-10,12H2,1-4H3.
What are the key properties of N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine?
N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 258.41 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 156849664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).