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

C16H32ClN3O2 — CID 119514735

IUPACN',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C16H31N3O2.ClH/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);1H
InChIKeyMAYNGXMGKOLVDN-UHFFFAOYSA-N
MW333.90 g/mol
LogP2.10
Rot. Bonds10

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

N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride (PubChem CID 119514735) has the molecular formula C16H32ClN3O2 and a molecular weight of 333.90 g/mol. Its IUPAC name is N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride.

Molecular Properties

Compound NameN',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride
PubChem CID119514735
Molecular FormulaC16H32ClN3O2
Molecular Weight333.90 g/mol
Exact Mass333.22
IUPAC NameN',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride
SMILESCCCN(CCC)C(=O)CCCC(=O)NCC1CCCN1.Cl
InChIInChI=1S/C16H31N3O2.ClH/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);1H
InChIKeyMAYNGXMGKOLVDN-UHFFFAOYSA-N
XLogP2.10
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.90
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide
CID 119514736
4-(dipropylamino)-N-(pyrrolidin-2-ylmethyl)butanamide
CID 119511522
N-[[(2R)-pyrrolidin-2-yl]methyl]pentanamide;hydrochloride
CID 175666343
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
N-(oxolan-3-ylmethyl)-N',N'-dipropylpentanediamide
CID 56540109
4-phenyl-N-[[(2R)-pyrrolidin-2-yl]methyl]butanamide
CID 11382839
N-(2-pyrrolidin-2-ylethyl)octanamide
CID 114793852
N-[2-[(2R)-pyrrolidin-2-yl]ethyl]dodecanamide
CID 104971837
4-hydroxy-N-[[(2R)-pyrrolidin-2-yl]methyl]pent-4-enamide
CID 177056000
N-[4-oxo-4-(pyrrolidin-2-ylmethylamino)butyl]benzamide;hydrochloride
CID 119514556
3-ethyl-N-(pyrrolidin-2-ylmethyl)pentanamide;hydrochloride
CID 119511693
2-chloro-N-(pyrrolidin-2-ylmethyl)acetamide
CID 71302527

Frequently Asked Questions

What is the IUPAC name of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride?
The IUPAC name of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride (CID 119514735) is N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride.
What is the SMILES notation for N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride?
The canonical SMILES for N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride is CCCN(CCC)C(=O)CCCC(=O)NCC1CCCN1.Cl.
What is the InChIKey of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride?
The InChIKey is MAYNGXMGKOLVDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O2.ClH/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);1H.
What are the key properties of N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride?
N',N'-dipropyl-N-(pyrrolidin-2-ylmethyl)pentanediamide;hydrochloride has a molecular weight of 333.90 g/mol, XLogP of 2.10, 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;hydrochloride is sourced from PubChem (CID 119514735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).