N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine

C18H27N3 — CID 117182187

IUPACN-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
SMILESCC(C)n1cc(CNC2CCCC2)c2cccc(CN)c21
InChIInChI=1S/C18H27N3/c1-13(2)21-12-15(11-20-16-7-3-4-8-16)17-9-5-6-14(10-19)18(17)21/h5-6,9,12-13,16,20H,3-4,7-8,10-11,19H2,1-2H3
InChIKeyKANRBCJVFNAUGU-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.71
Rot. Bonds5

About N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine

N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine (PubChem CID 117182187) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine.

Molecular Properties

Compound NameN-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
PubChem CID117182187
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
SMILESCC(C)n1cc(CNC2CCCC2)c2cccc(CN)c21
InChIInChI=1S/C18H27N3/c1-13(2)21-12-15(11-20-16-7-3-4-8-16)17-9-5-6-14(10-19)18(17)21/h5-6,9,12-13,16,20H,3-4,7-8,10-11,19H2,1-2H3
InChIKeyKANRBCJVFNAUGU-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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Related Compounds

N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
CID 117182193
N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
CID 117183919
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209
N-[(5-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopentanamine
CID 117175445
N-[[6-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopropanamine
CID 117178730
N-[[6-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopentanamine
CID 117178236
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-7-amine
CID 117182558
3-[(cyclopentylamino)methyl]-1-propan-2-ylindole-5-carboxylic acid
CID 117175748
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
CID 70450840
N-[(4-chloro-1-propan-2-ylindol-3-yl)methyl]cyclopropanamine
CID 117171695

Frequently Asked Questions

What is the IUPAC name of N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine?
The IUPAC name of N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine (CID 117182187) is N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine.
What is the SMILES notation for N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine?
The canonical SMILES for N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine is CC(C)n1cc(CNC2CCCC2)c2cccc(CN)c21.
What is the InChIKey of N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine?
The InChIKey is KANRBCJVFNAUGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-13(2)21-12-15(11-20-16-7-3-4-8-16)17-9-5-6-14(10-19)18(17)21/h5-6,9,12-13,16,20H,3-4,7-8,10-11,19H2,1-2H3.
What are the key properties of N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine?
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-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-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine is sourced from PubChem (CID 117182187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).