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

C17H24N2 — CID 96676952

IUPACN-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
SMILESCC(C)c1ccc2c(c1)c(CCNC1CC1)cn2C
InChIInChI=1S/C17H24N2/c1-12(2)13-4-7-17-16(10-13)14(11-19(17)3)8-9-18-15-5-6-15/h4,7,10-12,15,18H,5-6,8-9H2,1-3H3
InChIKeyKYNCTIRCMMLNTO-UHFFFAOYSA-N
MW256.39 g/mol
LogP3.60
Rot. Bonds5

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

N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine (PubChem CID 96676952) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
PubChem CID96676952
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC NameN-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine
SMILESCC(C)c1ccc2c(c1)c(CCNC1CC1)cn2C
InChIInChI=1S/C17H24N2/c1-12(2)13-4-7-17-16(10-13)14(11-19(17)3)8-9-18-15-5-6-15/h4,7,10-12,15,18H,5-6,8-9H2,1-3H3
InChIKeyKYNCTIRCMMLNTO-UHFFFAOYSA-N
XLogP3.60
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
The IUPAC name of N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine (CID 96676952) is N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
The canonical SMILES for N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine is CC(C)c1ccc2c(c1)c(CCNC1CC1)cn2C.
What is the InChIKey of N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
The InChIKey is KYNCTIRCMMLNTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-12(2)13-4-7-17-16(10-13)14(11-19(17)3)8-9-18-15-5-6-15/h4,7,10-12,15,18H,5-6,8-9H2,1-3H3.
What are the key properties of N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine?
N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine has a molecular weight of 256.39 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-5-propan-2-ylindol-3-yl)ethyl]cyclopropanamine is sourced from PubChem (CID 96676952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).