[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine

C17H33N3 — CID 106663212

IUPAC[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H33N3/c1-13-9-16(2,3)11-17(13,12-18)20-8-7-14-5-6-15(10-20)19(14)4/h13-15H,5-12,18H2,1-4H3
InChIKeyRTFPIPUTLHHXDM-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.31
Rot. Bonds2

About [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine

[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine (PubChem CID 106663212) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine.

Molecular Properties

Compound Name[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
PubChem CID106663212
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine
SMILESCC1CC(C)(C)CC1(CN)N1CCC2CCC(C1)N2C
InChIInChI=1S/C17H33N3/c1-13-9-16(2,3)11-17(13,12-18)20-8-7-14-5-6-15(10-20)19(14)4/h13-15H,5-12,18H2,1-4H3
InChIKeyRTFPIPUTLHHXDM-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(4-cyclopropylpiperazin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663047
[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663109
[3-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclobutyl]methanamine
CID 103563041
[1-(2-ethylthiomorpholin-4-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663272
[1-(3,4-dimethoxypyrrolidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663296
[1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-3-propan-2-ylcyclobutyl]methanamine
CID 103563040
[5-methyl-3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79949642
[3-cyclopropyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclohexyl]methanamine
CID 79166206
[4-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thian-4-yl]methanamine
CID 79175214
[3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)thiolan-3-yl]methanamine
CID 79175489
[1-(3-ethylpiperidin-1-yl)-2,4,4-trimethylcyclohexyl]methanamine
CID 81320901
[2,5-dimethyl-1-(3-piperidin-1-ylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 64763152

Frequently Asked Questions

What is the IUPAC name of [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine?
The IUPAC name of [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine (CID 106663212) is [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine.
What is the SMILES notation for [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine?
The canonical SMILES for [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine is CC1CC(C)(C)CC1(CN)N1CCC2CCC(C1)N2C.
What is the InChIKey of [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine?
The InChIKey is RTFPIPUTLHHXDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-13-9-16(2,3)11-17(13,12-18)20-8-7-14-5-6-15(10-20)19(14)4/h13-15H,5-12,18H2,1-4H3.
What are the key properties of [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine?
[2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine has a molecular weight of 279.47 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,4-trimethyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)cyclopentyl]methanamine is sourced from PubChem (CID 106663212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).