N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide

C12H22N2O — CID 178190623

IUPACN-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
SMILESNC[C@H]1CC[C@@H](NC(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O/c13-8-9-5-6-11(7-9)14-12(15)10-3-1-2-4-10/h9-11H,1-8,13H2,(H,14,15)/t9-,11+/m0/s1
InChIKeyQIVAXGYIUUGROE-GXSJLCMTSA-N
MW210.32 g/mol
LogP1.42
Rot. Bonds3

About N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide

N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide (PubChem CID 178190623) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
PubChem CID178190623
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC NameN-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide
SMILESNC[C@H]1CC[C@@H](NC(=O)C2CCCC2)C1
InChIInChI=1S/C12H22N2O/c13-8-9-5-6-11(7-9)14-12(15)10-3-1-2-4-10/h9-11H,1-8,13H2,(H,14,15)/t9-,11+/m0/s1
InChIKeyQIVAXGYIUUGROE-GXSJLCMTSA-N
XLogP1.42
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide (CID 178190623) is N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide is NC[C@H]1CC[C@@H](NC(=O)C2CCCC2)C1.
What is the InChIKey of N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide?
The InChIKey is QIVAXGYIUUGROE-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H22N2O/c13-8-9-5-6-11(7-9)14-12(15)10-3-1-2-4-10/h9-11H,1-8,13H2,(H,14,15)/t9-,11+/m0/s1.
What are the key properties of N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide?
N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide has a molecular weight of 210.32 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3S)-3-(aminomethyl)cyclopentyl]cyclopentanecarboxamide is sourced from PubChem (CID 178190623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).