(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine

C13H18N2 — CID 92864086

IUPAC(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-10(2)14-8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9-10,14-15H,3,8H2,1-2H3/t10-/m1/s1
InChIKeyBQJNCHQXDCVTAP-SNVBAGLBSA-N
MW202.30 g/mol
LogP3.06
Rot. Bonds4

About (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine

(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine (PubChem CID 92864086) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine.

Molecular Properties

Compound Name(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
PubChem CID92864086
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine
SMILESCC[C@@H](C)NCc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-10(2)14-8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9-10,14-15H,3,8H2,1-2H3/t10-/m1/s1
InChIKeyBQJNCHQXDCVTAP-SNVBAGLBSA-N
XLogP3.06
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-(1H-indol-3-ylmethylamino)propan-1-ol
CID 114985544
1-(4-fluorophenyl)-N-(1H-indol-3-ylmethyl)propan-2-amine
CID 60958104
2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
2-(1H-indol-3-ylmethylamino)propanoic acid
CID 62324113
(1S)-N-(1H-indol-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 81401542
1-(1H-indol-3-ylmethylamino)ethanesulfonic acid
CID 177255984
4-[(butan-2-ylamino)methyl]-1H-quinolin-2-one
CID 63553516
(1R)-N-(1H-indol-3-ylmethyl)-1-pyridin-4-ylethanamine
CID 81406304
2-(1H-indol-3-ylmethylamino)-N-methylpropanamide
CID 61057745
N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 60663811
(1R)-N-(1H-indol-3-ylmethyl)-1-(2-methoxyphenyl)ethanamine
CID 81389478
1-cyclohexyl-N-(1H-indol-3-ylmethyl)ethanamine
CID 62407326

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine?
The IUPAC name of (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine (CID 92864086) is (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine.
What is the SMILES notation for (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine?
The canonical SMILES for (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine is CC[C@@H](C)NCc1c[nH]c2ccccc12.
What is the InChIKey of (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine?
The InChIKey is BQJNCHQXDCVTAP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-10(2)14-8-11-9-15-13-7-5-4-6-12(11)13/h4-7,9-10,14-15H,3,8H2,1-2H3/t10-/m1/s1.
What are the key properties of (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine?
(2R)-N-(1H-indol-3-ylmethyl)butan-2-amine has a molecular weight of 202.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1H-indol-3-ylmethyl)butan-2-amine is sourced from PubChem (CID 92864086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).