[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine

C16H23N3 — CID 117179946

IUPAC[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine
SMILESNCc1ccc2cc(CN3CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c17-11-13-5-6-14-10-15(18-16(14)9-13)12-19-7-3-1-2-4-8-19/h5-6,9-10,18H,1-4,7-8,11-12,17H2
InChIKeyHGTWAUSNWZCNTR-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.00
Rot. Bonds3

About [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine

[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine (PubChem CID 117179946) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine.

Molecular Properties

Compound Name[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine
PubChem CID117179946
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine
SMILESNCc1ccc2cc(CN3CCCCCC3)[nH]c2c1
InChIInChI=1S/C16H23N3/c17-11-13-5-6-14-10-15(18-16(14)9-13)12-19-7-3-1-2-4-8-19/h5-6,9-10,18H,1-4,7-8,11-12,17H2
InChIKeyHGTWAUSNWZCNTR-UHFFFAOYSA-N
XLogP3.00
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[2-(morpholin-4-ylmethyl)-1H-indol-6-yl]methanamine
CID 117179949
2-(pyrrolidin-1-ylmethyl)-1H-indol-5-amine
CID 84681236
5-chloro-2-(piperidin-1-ylmethyl)-1H-indole
CID 117176618
5-bromo-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 66670945
5-chloro-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117176612
[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]methanamine
CID 18071220
[3-methyl-4-(pyrrolidin-1-ylmethyl)phenyl]methanamine
CID 114478531
2-methyl-6-(piperazin-1-ylmethyl)-1H-indole
CID 71137798
1-phenyl-4-[[2-(pyrrolidin-1-ylmethyl)-1H-indol-5-yl]methyl]piperazin-2-one
CID 11646767
2-[[6-(aminomethyl)-1H-indol-2-yl]methoxy]phenol
CID 117179968
[2-(piperidin-1-ylmethyl)-1-propan-2-ylindol-5-yl]methanamine
CID 117177017
4-methyl-2-(pyrrolidin-1-ylmethyl)-1H-indole
CID 117184813

Frequently Asked Questions

What is the IUPAC name of [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine?
The IUPAC name of [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine (CID 117179946) is [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine.
What is the SMILES notation for [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine?
The canonical SMILES for [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine is NCc1ccc2cc(CN3CCCCCC3)[nH]c2c1.
What is the InChIKey of [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine?
The InChIKey is HGTWAUSNWZCNTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c17-11-13-5-6-14-10-15(18-16(14)9-13)12-19-7-3-1-2-4-8-19/h5-6,9-10,18H,1-4,7-8,11-12,17H2.
What are the key properties of [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine?
[2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine has a molecular weight of 257.38 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(azepan-1-ylmethyl)-1H-indol-6-yl]methanamine is sourced from PubChem (CID 117179946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).