N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine

C14H20N2 — CID 115763447

IUPACN-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H20N2/c1-3-11(2)9-15-10-13-8-12-6-4-5-7-14(12)16-13/h4-8,11,15-16H,3,9-10H2,1-2H3
InChIKeyHASPWNVICDVLTJ-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.30
Rot. Bonds5

About N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine

N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine (PubChem CID 115763447) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
PubChem CID115763447
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC NameN-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
SMILESCCC(C)CNCc1cc2ccccc2[nH]1
InChIInChI=1S/C14H20N2/c1-3-11(2)9-15-10-13-8-12-6-4-5-7-14(12)16-13/h4-8,11,15-16H,3,9-10H2,1-2H3
InChIKeyHASPWNVICDVLTJ-UHFFFAOYSA-N
XLogP3.30
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-[3,5-bis[(1H-indol-2-ylmethylamino)methyl]phenyl]-5-[(1H-indol-2-ylmethylamino)methyl]phenyl]-N-(1H-indol-2-ylmethyl)methanamine
CID 150046479
2,2,2-trifluoro-N-(1H-indol-2-ylmethyl)ethanamine
CID 62095860
N-[[3,5-bis[(1H-indol-2-ylmethylamino)methyl]-2,4,6-trimethoxyphenyl]methyl]-1-(1H-indol-2-yl)methanamine
CID 72697712
N-(1H-indol-2-ylmethyl)formamide
CID 54534530
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
N-(1H-indol-2-ylmethyl)acetamide
CID 66552376
(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 97231021
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
CID 102184526
2-hydroxy-N-(1H-indol-2-ylmethyl)-4-methylpentanamide
CID 86286685
1-(1H-indol-2-ylmethyl)-2,3-dimethylguanidine
CID 47091801
2-(2-ethyl-2,7-dimethylnonyl)-1H-indole
CID 173251824
2-(2,3,3-trimethylbutyl)-1H-indole
CID 23522829

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine?
The IUPAC name of N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine (CID 115763447) is N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine is CCC(C)CNCc1cc2ccccc2[nH]1.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine?
The InChIKey is HASPWNVICDVLTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-11(2)9-15-10-13-8-12-6-4-5-7-14(12)16-13/h4-8,11,15-16H,3,9-10H2,1-2H3.
What are the key properties of N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine?
N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine is sourced from PubChem (CID 115763447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).