N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine

C15H22N2 — CID 102184526

IUPACN-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C15H22N2/c1-11(2)17(12(3)4)10-14-9-13-7-5-6-8-15(13)16-14/h5-9,11-12,16H,10H2,1-4H3
InChIKeyHDVMNRMBZHCDOO-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.79
Rot. Bonds4

About N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine

N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine (PubChem CID 102184526) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound NameN-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
PubChem CID102184526
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine
SMILESCC(C)N(Cc1cc2ccccc2[nH]1)C(C)C
InChIInChI=1S/C15H22N2/c1-11(2)17(12(3)4)10-14-9-13-7-5-6-8-15(13)16-14/h5-9,11-12,16H,10H2,1-4H3
InChIKeyHDVMNRMBZHCDOO-UHFFFAOYSA-N
XLogP3.79
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1H-indol-2-ylmethyl(methyl)carbamic acid;hydrochloride
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2-(4-fluoropentyl)-1H-indole
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1H-indole-2-carbaldehyde;1-(1H-indol-2-yl)-N,N-dimethylmethanamine
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3-(1H-indol-2-yl)-2-methylpropanoic acid
CID 22476899
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 111247251
1-(1H-indol-2-yl)butan-2-amine
CID 54026892
N-(1H-indol-2-ylmethyl)-2-methylbutan-1-amine
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2-(2-fluoroethyl)-1H-indole
CID 142633825
2-heptyl-1H-indole
CID 3719004

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The IUPAC name of N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine (CID 102184526) is N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine.
What is the SMILES notation for N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The canonical SMILES for N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine is CC(C)N(Cc1cc2ccccc2[nH]1)C(C)C.
What is the InChIKey of N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
The InChIKey is HDVMNRMBZHCDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)17(12(3)4)10-14-9-13-7-5-6-8-15(13)16-14/h5-9,11-12,16H,10H2,1-4H3.
What are the key properties of N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine?
N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine has a molecular weight of 230.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-2-ylmethyl)-N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 102184526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).