N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

C16H29N3O2 — CID 119604609

IUPACN-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1CCCC1CN)NC(=O)C1CCCC1
InChIInChI=1S/C16H29N3O2/c1-11(18-16(21)12-5-2-3-6-12)9-15(20)19-14-8-4-7-13(14)10-17/h11-14H,2-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyJRPRRMMNXOGAGR-UHFFFAOYSA-N
MW295.43 g/mol
LogP1.32
Rot. Bonds6

About N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide

N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (PubChem CID 119604609) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
PubChem CID119604609
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC NameN-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide
SMILESCC(CC(=O)NC1CCCC1CN)NC(=O)C1CCCC1
InChIInChI=1S/C16H29N3O2/c1-11(18-16(21)12-5-2-3-6-12)9-15(20)19-14-8-4-7-13(14)10-17/h11-14H,2-10,17H2,1H3,(H,18,21)(H,19,20)
InChIKeyJRPRRMMNXOGAGR-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The IUPAC name of N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide (CID 119604609) is N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide.
What is the SMILES notation for N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The canonical SMILES for N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is CC(CC(=O)NC1CCCC1CN)NC(=O)C1CCCC1.
What is the InChIKey of N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
The InChIKey is JRPRRMMNXOGAGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-11(18-16(21)12-5-2-3-6-12)9-15(20)19-14-8-4-7-13(14)10-17/h11-14H,2-10,17H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide?
N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide has a molecular weight of 295.43 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(aminomethyl)cyclopentyl]amino]-4-oxobutan-2-yl]cyclopentanecarboxamide is sourced from PubChem (CID 119604609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).