N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine

C13H18N2 — CID 17221020

IUPACN-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C13H18N2/c1-10(2)8-14-9-11-4-3-5-13-12(11)6-7-15-13/h3-7,10,14-15H,8-9H2,1-2H3
InChIKeyCMGZAQHYRRFJAU-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.91
Rot. Bonds4

About N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine

N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine (PubChem CID 17221020) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
PubChem CID17221020
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc2[nH]ccc12
InChIInChI=1S/C13H18N2/c1-10(2)8-14-9-11-4-3-5-13-12(11)6-7-15-13/h3-7,10,14-15H,8-9H2,1-2H3
InChIKeyCMGZAQHYRRFJAU-UHFFFAOYSA-N
XLogP2.91
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

1-(1H-indol-4-ylmethylamino)-4-methylpentan-2-ol
CID 110928680
1-(1H-indol-4-ylmethylamino)-2,3-dimethylbutan-2-ol
CID 111118493
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
(2R)-2-N-(1H-indol-4-ylmethyl)propane-1,2-diamine
CID 104868036
3-(1H-indol-4-ylmethylamino)-N-propan-2-ylpropanamide
CID 112688766
2-chloro-3-[(1H-indol-4-ylmethylamino)methyl]phenol
CID 167760392
2-(1H-indol-4-ylmethylamino)-1-(3-methoxyphenyl)ethanol
CID 111114815
3-(1H-indol-4-ylmethylamino)butan-1-ol
CID 78997696
N-(1H-indol-4-ylmethyl)-1-pyridin-4-ylmethanamine
CID 17221052
3-(1H-indol-4-yl)-2-methyl-N-propan-2-ylpropan-1-amine
CID 166727731
2-(1H-indol-3-yl)-N-(1H-indol-4-ylmethyl)ethanamine
CID 17221038
N-ethyl-2-(1H-indol-4-ylmethylamino)-N-methylacetamide
CID 104923370

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine (CID 17221020) is N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine is CC(C)CNCc1cccc2[nH]ccc12.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine?
The InChIKey is CMGZAQHYRRFJAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-10(2)8-14-9-11-4-3-5-13-12(11)6-7-15-13/h3-7,10,14-15H,8-9H2,1-2H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine?
N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine has a molecular weight of 202.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-2-methylpropan-1-amine is sourced from PubChem (CID 17221020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).