[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine

C16H31N3 — CID 106663047

IUPAC[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H31N3/c1-13-10-15(2,3)11-16(13,12-17)19-8-6-18(7-9-19)14-4-5-14/h13-14H,4-12,17H2,1-3H3
InChIKeyXXHHYKSNDJEXDP-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.92
Rot. Bonds3

About [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine

[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine (PubChem CID 106663047) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
PubChem CID106663047
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCN(C2CC2)CC1
InChIInChI=1S/C16H31N3/c1-13-10-15(2,3)11-16(13,12-17)19-8-6-18(7-9-19)14-4-5-14/h13-14H,4-12,17H2,1-3H3
InChIKeyXXHHYKSNDJEXDP-UHFFFAOYSA-N
XLogP1.92
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663109
[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
CID 106663212
[1-(4-cyclopropylpiperazin-1-yl)-2-methylcyclohexyl]methanamine
CID 61440866
[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663296
[3-(4-cyclopropylpiperazin-1-yl)-2-methylthiolan-3-yl]methanamine
CID 114080123
[1-(4-cyclopropylpiperazin-1-yl)-3,3-dimethylcyclopentyl]methanamine
CID 80705604
[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663272
[1-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663173
[1-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663129
[2,4,4-trimethyl-1-(4-propan-2-ylpiperazin-1-yl)cyclohexyl]methanamine
CID 81320979
[1-(2,5-dimethylmorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106662992
[2,4,4-trimethyl-1-(4-methylazepan-1-yl)cyclohexyl]methanamine
CID 81320512

Frequently Asked Questions

What is the IUPAC name of [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The IUPAC name of [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine (CID 106663047) is [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine.
What is the SMILES notation for [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The canonical SMILES for [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine is CC1CC(C)(C)CC1(CN)N1CCN(C2CC2)CC1.
What is the InChIKey of [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
The InChIKey is XXHHYKSNDJEXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13-10-15(2,3)11-16(13,12-17)19-8-6-18(7-9-19)14-4-5-14/h13-14H,4-12,17H2,1-3H3.
What are the key properties of [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine?
[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine has a molecular weight of 265.44 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine is sourced from PubChem (CID 106663047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).