N-(azepan-4-yl)-1H-indol-5-amine

C14H19N3 — CID 113361399

IUPACN-(azepan-4-yl)-1H-indol-5-amine
SMILESc1cc2cc(NC3CCCNCC3)ccc2[nH]1
InChIInChI=1S/C14H19N3/c1-2-12(6-8-15-7-1)17-13-3-4-14-11(10-13)5-9-16-14/h3-5,9-10,12,15-17H,1-2,6-8H2
InChIKeyGAWRMTISPOZBPZ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.72
Rot. Bonds2

About N-(azepan-4-yl)-1H-indol-5-amine

N-(azepan-4-yl)-1H-indol-5-amine (PubChem CID 113361399) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is N-(azepan-4-yl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(azepan-4-yl)-1H-indol-5-amine
PubChem CID113361399
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC NameN-(azepan-4-yl)-1H-indol-5-amine
SMILESc1cc2cc(NC3CCCNCC3)ccc2[nH]1
InChIInChI=1S/C14H19N3/c1-2-12(6-8-15-7-1)17-13-3-4-14-11(10-13)5-9-16-14/h3-5,9-10,12,15-17H,1-2,6-8H2
InChIKeyGAWRMTISPOZBPZ-UHFFFAOYSA-N
XLogP2.72
TPSA39.85 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

6-(azepan-4-ylamino)-2H-isoquinolin-1-one
CID 59290710
N-cyclohexyl-1H-indol-6-amine
CID 139269794
N-(azepan-4-yl)-2-methyl-3H-benzimidazol-5-amine
CID 113361498
N-(2,6-dimethylcyclohexyl)-1H-indol-5-amine
CID 43108999
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-indol-5-amine
CID 43768671
N-(1H-indol-5-yl)piperidine-3-carboxamide
CID 61248015
N-(2-pyrrolidin-2-ylcyclohexyl)-1H-indol-5-amine
CID 79539275
N-(3-chlorophenyl)azepan-4-amine
CID 105482710
N-(2,3-dimethylcyclohexyl)-1H-indol-5-amine
CID 64775773
N-(2-methoxycyclohexyl)-1H-indol-5-amine
CID 43768693
N-(azepan-4-yl)-1,3-benzothiazol-6-amine
CID 107803941
4-(1H-indol-5-ylamino)-2,3,4,5,6,7,8,8a-octahydro-1H-naphthalen-4a-ol
CID 75951124

Frequently Asked Questions

What is the IUPAC name of N-(azepan-4-yl)-1H-indol-5-amine?
The IUPAC name of N-(azepan-4-yl)-1H-indol-5-amine (CID 113361399) is N-(azepan-4-yl)-1H-indol-5-amine.
What is the SMILES notation for N-(azepan-4-yl)-1H-indol-5-amine?
The canonical SMILES for N-(azepan-4-yl)-1H-indol-5-amine is c1cc2cc(NC3CCCNCC3)ccc2[nH]1.
What is the InChIKey of N-(azepan-4-yl)-1H-indol-5-amine?
The InChIKey is GAWRMTISPOZBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-2-12(6-8-15-7-1)17-13-3-4-14-11(10-13)5-9-16-14/h3-5,9-10,12,15-17H,1-2,6-8H2.
What are the key properties of N-(azepan-4-yl)-1H-indol-5-amine?
N-(azepan-4-yl)-1H-indol-5-amine has a molecular weight of 229.33 g/mol, XLogP of 2.72, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-4-yl)-1H-indol-5-amine is sourced from PubChem (CID 113361399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).