2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine

C17H33N3 — CID 82768208

IUPAC2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine
SMILESCC1(CN2CCC(CN3CCCC3)CC2)CCCC1N
InChIInChI=1S/C17H33N3/c1-17(8-4-5-16(17)18)14-20-11-6-15(7-12-20)13-19-9-2-3-10-19/h15-16H,2-14,18H2,1H3
InChIKeyQTAROSCJBHURDU-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.31
Rot. Bonds4

About 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine

2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine (PubChem CID 82768208) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine
PubChem CID82768208
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine
SMILESCC1(CN2CCC(CN3CCCC3)CC2)CCCC1N
InChIInChI=1S/C17H33N3/c1-17(8-4-5-16(17)18)14-20-11-6-15(7-12-20)13-19-9-2-3-10-19/h15-16H,2-14,18H2,1H3
InChIKeyQTAROSCJBHURDU-UHFFFAOYSA-N
XLogP2.31
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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

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Related Compounds

2-methyl-2-[(4-propylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 82767673
2-[(4-ethoxypiperidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82767301
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 107456168
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82768579
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclopentan-1-amine
CID 82768206
2-[(2-ethylpiperidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82767473
[1-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclobutyl]methanamine
CID 115449029
2-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 102744303
2-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclopentan-1-amine
CID 82768664
2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 82767674
2-[[4-(2-chlorophenyl)piperazin-1-yl]methyl]-2-methylcyclopentan-1-amine
CID 82759606
2-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-2-methylcyclopentan-1-amine
CID 82767653

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine (CID 82768208) is 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine is CC1(CN2CCC(CN3CCCC3)CC2)CCCC1N.
What is the InChIKey of 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine?
The InChIKey is QTAROSCJBHURDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-17(8-4-5-16(17)18)14-20-11-6-15(7-12-20)13-19-9-2-3-10-19/h15-16H,2-14,18H2,1H3.
What are the key properties of 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine?
2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine is sourced from PubChem (CID 82768208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).