N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide

C16H31N3O2 — CID 119514736

IUPACN',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1CCCN1
InChIInChI=1S/C16H31N3O2/c1-3-11-19(12-4-2)16(21)9-5-8-15(20)18-13-14-7-6-10-17-14/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyIJJCCLFPCOTRBX-UHFFFAOYSA-N
MW297.44 g/mol
LogP1.67
Rot. Bonds10

About N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide

N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide (PubChem CID 119514736) has the molecular formula C16H31N3O2 and a molecular weight of 297.44 g/mol. Its IUPAC name is N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide.

Molecular Properties

Compound NameN',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
PubChem CID119514736
Molecular FormulaC16H31N3O2
Molecular Weight297.44 g/mol
Exact Mass297.24
IUPAC NameN',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1CCCN1
InChIInChI=1S/C16H31N3O2/c1-3-11-19(12-4-2)16(21)9-5-8-15(20)18-13-14-7-6-10-17-14/h14,17H,3-13H2,1-2H3,(H,18,20)
InChIKeyIJJCCLFPCOTRBX-UHFFFAOYSA-N
XLogP1.67
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.44
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide?
The IUPAC name of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide (CID 119514736) is N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide.
What is the SMILES notation for N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide?
The canonical SMILES for N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide is CCCN(CCC)C(=O)CCCC(=O)NCC1CCCN1.
What is the InChIKey of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide?
The InChIKey is IJJCCLFPCOTRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2/c1-3-11-19(12-4-2)16(21)9-5-8-15(20)18-13-14-7-6-10-17-14/h14,17H,3-13H2,1-2H3,(H,18,20).
What are the key properties of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide?
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide has a molecular weight of 297.44 g/mol, XLogP of 1.67, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide is sourced from PubChem (CID 119514736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).