N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine

C15H22N2 — CID 113234819

IUPACN-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
SMILESCC(NCc1cccc2cc[nH]c12)C(C)(C)C
InChIInChI=1S/C15H22N2/c1-11(15(2,3)4)17-10-13-7-5-6-12-8-9-16-14(12)13/h5-9,11,16-17H,10H2,1-4H3
InChIKeyGDWMXRYPMQFIMS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.69
Rot. Bonds3

About N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine

N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine (PubChem CID 113234819) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
PubChem CID113234819
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine
SMILESCC(NCc1cccc2cc[nH]c12)C(C)(C)C
InChIInChI=1S/C15H22N2/c1-11(15(2,3)4)17-10-13-7-5-6-12-8-9-16-14(12)13/h5-9,11,16-17H,10H2,1-4H3
InChIKeyGDWMXRYPMQFIMS-UHFFFAOYSA-N
XLogP3.69
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-(1H-indol-7-ylmethyl)-4-methylpent-1-yn-3-amine
CID 114202006
3-(1H-indol-7-ylmethylamino)-4-methylpentan-1-ol
CID 103701053
N-(1H-indol-7-ylmethyl)pentan-3-amine;hydrochloride
CID 115606795
2-(1H-indol-7-ylmethylamino)propane-1,3-diol
CID 115655450
(1S)-N-(1H-indol-7-ylmethyl)-1-(4-methylphenyl)ethanamine
CID 102911524
(2R)-1-(1H-indol-7-ylmethylamino)propan-2-ol
CID 96903920
(1S)-1-(2-bromophenyl)-N-(1H-indol-7-ylmethyl)ethanamine
CID 103880973
7-(2,2-dimethylpropyl)-1H-indole
CID 69029945
N-(1H-indol-7-ylmethyl)-2-methoxy-2-methylpropan-1-amine
CID 113243504
N-(1H-indol-7-ylmethyl)-5-methylhexan-1-amine
CID 113240682
7-[(2-methylpropan-2-yl)oxymethyl]-1H-indole
CID 59674725
7-(4-methylpentyl)-1H-indole
CID 177208716

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine (CID 113234819) is N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine is CC(NCc1cccc2cc[nH]c12)C(C)(C)C.
What is the InChIKey of N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine?
The InChIKey is GDWMXRYPMQFIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(15(2,3)4)17-10-13-7-5-6-12-8-9-16-14(12)13/h5-9,11,16-17H,10H2,1-4H3.
What are the key properties of N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine?
N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-7-ylmethyl)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 113234819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).