2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine

C18H28N2 — CID 96679765

IUPAC2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine
SMILESCC(C)c1ccc2c(c1)c(CCNC(C)(C)C)cn2C
InChIInChI=1S/C18H28N2/c1-13(2)14-7-8-17-16(11-14)15(12-20(17)6)9-10-19-18(3,4)5/h7-8,11-13,19H,9-10H2,1-6H3
InChIKeyCVKYHHRKYXJCDU-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.23
Rot. Bonds4

About 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine

2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine (PubChem CID 96679765) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine
PubChem CID96679765
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine
SMILESCC(C)c1ccc2c(c1)c(CCNC(C)(C)C)cn2C
InChIInChI=1S/C18H28N2/c1-13(2)14-7-8-17-16(11-14)15(12-20(17)6)9-10-19-18(3,4)5/h7-8,11-13,19H,9-10H2,1-6H3
InChIKeyCVKYHHRKYXJCDU-UHFFFAOYSA-N
XLogP4.23
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-2-(1-methyl-5-propan-2-ylindol-3-yl)ethanamine
CID 96674946
N-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 96674945
N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
CID 96676952
(1-methyl-5-propan-2-ylindol-3-yl)methanamine
CID 82491626
N-[2-(6-chloro-1-methylindol-3-yl)ethyl]-2-methylpropan-2-amine
CID 82501552
3-methyl-3-(1-methyl-5-propan-2-ylindol-3-yl)butanoic acid
CID 84641969
3-(1,5-dimethylindol-3-yl)-N-propan-2-ylpropan-1-amine
CID 96674926
5-bromo-1-methyl-3-[(4-propan-2-ylphenyl)methyl]indole
CID 26367659
1-(1-methyl-5-propan-2-ylindol-3-yl)propan-1-amine
CID 82278918
1,2-dimethoxy-4-propan-2-ylbenzene;1,3-dimethyl-5-propan-2-ylindole
CID 163892764
2-methyl-N-[2-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]ethyl]propan-2-amine
CID 65182553
2-[3-(2-aminoethyl)-5-propan-2-ylindol-1-yl]acetic acid
CID 83945028

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine (CID 96679765) is 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine is CC(C)c1ccc2c(c1)c(CCNC(C)(C)C)cn2C.
What is the InChIKey of 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine?
The InChIKey is CVKYHHRKYXJCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-13(2)14-7-8-17-16(11-14)15(12-20(17)6)9-10-19-18(3,4)5/h7-8,11-13,19H,9-10H2,1-6H3.
What are the key properties of 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine?
2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine has a molecular weight of 272.44 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]propan-2-amine is sourced from PubChem (CID 96679765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).