N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine

C18H27N3 — CID 117180455

IUPACN-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)cc2ccc(CN)cc21
InChIInChI=1S/C18H27N3/c1-13(2)21-17(12-20-16-5-3-4-6-16)10-15-8-7-14(11-19)9-18(15)21/h7-10,13,16,20H,3-6,11-12,19H2,1-2H3
InChIKeyXLEZBGUCYKHTPP-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.71
Rot. Bonds5

About N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine

N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine (PubChem CID 117180455) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
PubChem CID117180455
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
SMILESCC(C)n1c(CNC2CCCC2)cc2ccc(CN)cc21
InChIInChI=1S/C18H27N3/c1-13(2)21-17(12-20-16-5-3-4-6-16)10-15-8-7-14(11-19)9-18(15)21/h7-10,13,16,20H,3-6,11-12,19H2,1-2H3
InChIKeyXLEZBGUCYKHTPP-UHFFFAOYSA-N
XLogP3.71
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine (CID 117180455) is N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine is CC(C)n1c(CNC2CCCC2)cc2ccc(CN)cc21.
What is the InChIKey of N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine?
The InChIKey is XLEZBGUCYKHTPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)21-17(12-20-16-5-3-4-6-16)10-15-8-7-14(11-19)9-18(15)21/h7-10,13,16,20H,3-6,11-12,19H2,1-2H3.
What are the key properties of N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine?
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine has a molecular weight of 285.44 g/mol, XLogP of 3.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine is sourced from PubChem (CID 117180455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).