N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine

C15H22N2 — CID 84626352

IUPACN-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(C(C)C)ccc2[nH]1
InChIInChI=1S/C15H22N2/c1-10(2)12-5-6-15-13(7-12)8-14(17-15)9-16-11(3)4/h5-8,10-11,16-17H,9H2,1-4H3
InChIKeyIRGZMWMSSKHTHQ-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.79
Rot. Bonds4

About N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine

N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine (PubChem CID 84626352) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine
PubChem CID84626352
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC NameN-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine
SMILESCC(C)NCc1cc2cc(C(C)C)ccc2[nH]1
InChIInChI=1S/C15H22N2/c1-10(2)12-5-6-15-13(7-12)8-14(17-15)9-16-11(3)4/h5-8,10-11,16-17H,9H2,1-4H3
InChIKeyIRGZMWMSSKHTHQ-UHFFFAOYSA-N
XLogP3.79
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-N-(1H-indol-2-ylmethyl)-1-thiophen-2-ylethanamine
CID 97231021
[2-[(propan-2-ylamino)methyl]-1H-indol-4-yl]methanol
CID 70472768
N-(2-butyl-1H-indol-5-yl)-4-propan-2-ylbenzenesulfonamide
CID 71425023
2-(4-chlorophenyl)-5-propan-2-yl-1H-indole
CID 131887091
2-(methylaminomethyl)-1H-indol-5-ol
CID 14906015
5-propan-2-yl-2-(4-propan-2-ylthiophen-2-yl)-1H-indole
CID 59476288
5-propan-2-yl-1H-indole
CID 10558918
1-(5-bromo-1H-indol-2-yl)-N-[(5-bromo-1H-indol-2-yl)methyl]methanamine
CID 155191549
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223
1-(2-methyl-5-propan-2-yl-1H-indol-3-yl)-2-(propan-2-ylamino)ethanone
CID 96679633
5-fluoro-2-(2-methylpropyl)-1H-indole
CID 177351441
molecular hydrogen;5-propan-2-yl-1,3-dihydrobenzimidazole-2-thione
CID 153334557

Frequently Asked Questions

What is the IUPAC name of N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine?
The IUPAC name of N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine (CID 84626352) is N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine is CC(C)NCc1cc2cc(C(C)C)ccc2[nH]1.
What is the InChIKey of N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine?
The InChIKey is IRGZMWMSSKHTHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-10(2)12-5-6-15-13(7-12)8-14(17-15)9-16-11(3)4/h5-8,10-11,16-17H,9H2,1-4H3.
What are the key properties of N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine?
N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-propan-2-yl-1H-indol-2-yl)methyl]propan-2-amine is sourced from PubChem (CID 84626352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).