(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine

C15H22N2 — CID 124566723

IUPAC(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
SMILESCNCC[C@@H](c1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C15H22N2/c1-11(2)12(8-9-16-3)14-10-17-15-7-5-4-6-13(14)15/h4-7,10-12,16-17H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyKWMHBKWETCPHTG-GFCCVEGCSA-N
MW230.36 g/mol
LogP3.52
Rot. Bonds5

About (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine

(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine (PubChem CID 124566723) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine.

Molecular Properties

Compound Name(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
PubChem CID124566723
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine
SMILESCNCC[C@@H](c1c[nH]c2ccccc12)C(C)C
InChIInChI=1S/C15H22N2/c1-11(2)12(8-9-16-3)14-10-17-15-7-5-4-6-13(14)15/h4-7,10-12,16-17H,8-9H2,1-3H3/t12-/m1/s1
InChIKeyKWMHBKWETCPHTG-GFCCVEGCSA-N
XLogP3.52
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-(1H-indol-3-yl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 58088410
3-[(2S)-3-methyl-1-nitrobutan-2-yl]-1H-indole
CID 102028785
(3R)-3-(1H-indol-3-yl)-4-methylpentanamide
CID 98241929
3-propan-2-yl-1H-indole
CID 12534824
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
1-chloro-1-(1H-indol-3-yl)-N-methylmethanamine
CID 116962085
2-(1H-indol-3-yl)propan-1-amine
CID 6452095
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
2-(1H-indol-3-yl)propan-1-amine;hydrochloride
CID 11970278
CID 167469094
CID 167469094
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine?
The IUPAC name of (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine (CID 124566723) is (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine.
What is the SMILES notation for (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine?
The canonical SMILES for (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine is CNCC[C@@H](c1c[nH]c2ccccc12)C(C)C.
What is the InChIKey of (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine?
The InChIKey is KWMHBKWETCPHTG-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)12(8-9-16-3)14-10-17-15-7-5-4-6-13(14)15/h4-7,10-12,16-17H,8-9H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine?
(3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine has a molecular weight of 230.36 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(1H-indol-3-yl)-N,4-dimethylpentan-1-amine is sourced from PubChem (CID 124566723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).