N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride

C12H24ClN3O2 — CID 119451129

IUPACN'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
SMILESCC(C)NC(=O)CCCC(=O)NC1CCNC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(2)14-11(16)4-3-5-12(17)15-10-6-7-13-8-10;/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17);1H
InChIKeyBBUYEDQUHJINHD-UHFFFAOYSA-N
MW277.80 g/mol
LogP0.58
Rot. Bonds6

About N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride

N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride (PubChem CID 119451129) has the molecular formula C12H24ClN3O2 and a molecular weight of 277.80 g/mol. Its IUPAC name is N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride.

Molecular Properties

Compound NameN'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
PubChem CID119451129
Molecular FormulaC12H24ClN3O2
Molecular Weight277.80 g/mol
Exact Mass277.16
IUPAC NameN'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride
SMILESCC(C)NC(=O)CCCC(=O)NC1CCNC1.Cl
InChIInChI=1S/C12H23N3O2.ClH/c1-9(2)14-11(16)4-3-5-12(17)15-10-6-7-13-8-10;/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17);1H
InChIKeyBBUYEDQUHJINHD-UHFFFAOYSA-N
XLogP0.58
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-N'-propan-2-ylpentanediamide
CID 119425960
N-(8-azabicyclo[3.2.1]octan-3-yl)-N'-propan-2-ylpentanediamide;hydrochloride
CID 119456671
4-cyclopentyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119454408
N-ethyl-N'-piperidin-3-ylpentanediamide;hydrochloride
CID 119428545
N-[(3S)-pyrrolidin-3-yl]decanamide
CID 79688087
N-pyrrolidin-3-ylpropanamide
CID 18337238
N-[4-oxo-4-(pyrrolidin-3-ylamino)butan-2-yl]cyclopentanecarboxamide
CID 119453661
3-methyl-N-[3-oxo-3-(pyrrolidin-3-ylamino)propyl]butanamide
CID 119449816
N-piperidin-4-ylhexanamide;hydrochloride
CID 47002713
3-methylsulfanyl-N-piperidin-3-ylpropanamide;hydrochloride
CID 119428186
3-(4-methylpentan-2-yloxy)-N-pyrrolidin-3-ylpropanamide
CID 119453788
N'-methyl-N'-piperidin-4-yl-N-propan-2-ylpentanediamide
CID 119442340

Frequently Asked Questions

What is the IUPAC name of N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride?
The IUPAC name of N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride (CID 119451129) is N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride.
What is the SMILES notation for N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride?
The canonical SMILES for N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride is CC(C)NC(=O)CCCC(=O)NC1CCNC1.Cl.
What is the InChIKey of N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride?
The InChIKey is BBUYEDQUHJINHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2.ClH/c1-9(2)14-11(16)4-3-5-12(17)15-10-6-7-13-8-10;/h9-10,13H,3-8H2,1-2H3,(H,14,16)(H,15,17);1H.
What are the key properties of N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride?
N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride has a molecular weight of 277.80 g/mol, XLogP of 0.58, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propan-2-yl-N-pyrrolidin-3-ylpentanediamide;hydrochloride is sourced from PubChem (CID 119451129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).