3-hexan-2-yl-1H-indol-2-amine

C14H20N2 — CID 151629359

IUPAC3-hexan-2-yl-1H-indol-2-amine
SMILESCCCCC(C)c1c(N)[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-3-4-7-10(2)13-11-8-5-6-9-12(11)16-14(13)15/h5-6,8-10,16H,3-4,7,15H2,1-2H3
InChIKeyQQEKBROFOAEBMR-UHFFFAOYSA-N
MW216.33 g/mol
LogP4.04
Rot. Bonds4

About 3-hexan-2-yl-1H-indol-2-amine

3-hexan-2-yl-1H-indol-2-amine (PubChem CID 151629359) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-hexan-2-yl-1H-indol-2-amine.

Molecular Properties

Compound Name3-hexan-2-yl-1H-indol-2-amine
PubChem CID151629359
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-hexan-2-yl-1H-indol-2-amine
SMILESCCCCC(C)c1c(N)[nH]c2ccccc12
InChIInChI=1S/C14H20N2/c1-3-4-7-10(2)13-11-8-5-6-9-12(11)16-14(13)15/h5-6,8-10,16H,3-4,7,15H2,1-2H3
InChIKeyQQEKBROFOAEBMR-UHFFFAOYSA-N
XLogP4.04
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-pent-4-en-2-yl-1H-indol-2-amine
CID 142468462
bis(9H-carbazole);propane
CID 90987002
3-(2-methyl-1H-indol-3-yl)butan-1-amine
CID 82397034
1-undecan-2-yl-9H-carbazole
CID 173176720
2-amino-3-butyl-1H-quinolin-4-one
CID 46708036
1-(9H-carbazol-3-yl)hexan-1-ol
CID 61088660
9H-carbazole;propane-1,1-diol
CID 19846299
bis(9H-carbazole);ethane
CID 145072085
9H-carbazole;ethane
CID 91098062
9H-carbazole
CID 66668984
4-docosan-2-ylaniline
CID 22757336
1-hexan-2-yl-4-phenylbenzene
CID 57161678

Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-yl-1H-indol-2-amine?
The IUPAC name of 3-hexan-2-yl-1H-indol-2-amine (CID 151629359) is 3-hexan-2-yl-1H-indol-2-amine.
What is the SMILES notation for 3-hexan-2-yl-1H-indol-2-amine?
The canonical SMILES for 3-hexan-2-yl-1H-indol-2-amine is CCCCC(C)c1c(N)[nH]c2ccccc12.
What is the InChIKey of 3-hexan-2-yl-1H-indol-2-amine?
The InChIKey is QQEKBROFOAEBMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-3-4-7-10(2)13-11-8-5-6-9-12(11)16-14(13)15/h5-6,8-10,16H,3-4,7,15H2,1-2H3.
What are the key properties of 3-hexan-2-yl-1H-indol-2-amine?
3-hexan-2-yl-1H-indol-2-amine has a molecular weight of 216.33 g/mol, XLogP of 4.04, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexan-2-yl-1H-indol-2-amine is sourced from PubChem (CID 151629359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).