N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide

C15H21N3O — CID 80697182

IUPACN-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-2-3-4-13(10-16)18-15(19)12-5-6-14-11(9-12)7-8-17-14/h5-9,13,17H,2-4,10,16H2,1H3,(H,18,19)
InChIKeyYOQNKFKFQWTJNP-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.42
Rot. Bonds6

About N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide

N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide (PubChem CID 80697182) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide.

Molecular Properties

Compound NameN-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
PubChem CID80697182
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-(1-aminohexan-2-yl)-1H-indole-5-carboxamide
SMILESCCCCC(CN)NC(=O)c1ccc2[nH]ccc2c1
InChIInChI=1S/C15H21N3O/c1-2-3-4-13(10-16)18-15(19)12-5-6-14-11(9-12)7-8-17-14/h5-9,13,17H,2-4,10,16H2,1H3,(H,18,19)
InChIKeyYOQNKFKFQWTJNP-UHFFFAOYSA-N
XLogP2.42
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-octan-4-yl-1H-indole-6-carboxamide
CID 106025028
N-hexan-3-yl-1H-indole-5-carboxamide
CID 63718470
N-octan-2-yl-1H-indole-5-carboxamide
CID 63716567
N-(1-aminohexan-2-yl)-3H-benzimidazole-5-carboxamide
CID 80698335
N-(1-aminohexan-2-yl)-2,3-dihydro-1H-indene-5-carboxamide
CID 80697948
N-(3-methylbutan-2-yl)-1H-indole-5-carboxamide
CID 63718611
N-(1-aminohexan-2-yl)-4-chloro-3-methylbenzamide
CID 113265964
N-(1-aminohexan-2-yl)-3-nitrobenzamide
CID 80698081
N-(1-aminohexan-2-yl)-1,3-benzodioxole-5-carboxamide;hydrochloride
CID 119667368
N-(1-aminohexan-2-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 119668324
3-N-(1-aminohexan-2-yl)-1-N-methylbenzene-1,3-dicarboxamide;hydrochloride
CID 119668834
3-N-(1-aminohexan-2-yl)benzene-1,3-dicarboxamide;hydrochloride
CID 119667555

Frequently Asked Questions

What is the IUPAC name of N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide?
The IUPAC name of N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide (CID 80697182) is N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide.
What is the SMILES notation for N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide?
The canonical SMILES for N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide is CCCCC(CN)NC(=O)c1ccc2[nH]ccc2c1.
What is the InChIKey of N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide?
The InChIKey is YOQNKFKFQWTJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-2-3-4-13(10-16)18-15(19)12-5-6-14-11(9-12)7-8-17-14/h5-9,13,17H,2-4,10,16H2,1H3,(H,18,19).
What are the key properties of N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide?
N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide has a molecular weight of 259.35 g/mol, XLogP of 2.42, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminohexan-2-yl)-1H-indole-5-carboxamide is sourced from PubChem (CID 80697182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).