N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide

C14H27N3O2 — CID 119550914

IUPACN',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)N(C)C1CCNC1
InChIInChI=1S/C14H27N3O2/c1-4-17(5-2)14(19)8-6-7-13(18)16(3)12-9-10-15-11-12/h12,15H,4-11H2,1-3H3
InChIKeyMBNTWGDXGIOKPK-UHFFFAOYSA-N
MW269.39 g/mol
LogP0.85
Rot. Bonds7

About N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide

N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide (PubChem CID 119550914) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide.

Molecular Properties

Compound NameN',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
PubChem CID119550914
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC NameN',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide
SMILESCCN(CC)C(=O)CCCC(=O)N(C)C1CCNC1
InChIInChI=1S/C14H27N3O2/c1-4-17(5-2)14(19)8-6-7-13(18)16(3)12-9-10-15-11-12/h12,15H,4-11H2,1-3H3
InChIKeyMBNTWGDXGIOKPK-UHFFFAOYSA-N
XLogP0.85
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylbutanediamide
CID 119554222
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide
CID 119551610
4-(dipropylamino)-N-methyl-N-pyrrolidin-3-ylbutanamide;dihydrochloride
CID 119551609
N-methyl-N-pyrrolidin-3-ylpropanamide
CID 60807525
N-methyl-N-piperidin-4-ylheptanamide
CID 115736784
N,N-diethyl-N'-piperidin-4-yl-N'-propylpentanediamide
CID 119823717
N,4,4-trimethyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119554778
N-methyl-3-methylsulfanyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119553749
N-(azetidin-3-yl)-N-methylhexanamide
CID 66186842
2,2-dimethyl-N-[4-[methyl(pyrrolidin-3-yl)amino]-4-oxobutyl]propanamide;hydrochloride
CID 119552565
4-(2-ethoxyphenoxy)-N-methyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119554526
N',N'-diethyl-N-piperidin-4-ylpentanediamide
CID 119386732

Frequently Asked Questions

What is the IUPAC name of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide?
The IUPAC name of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide (CID 119550914) is N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide.
What is the SMILES notation for N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide?
The canonical SMILES for N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide is CCN(CC)C(=O)CCCC(=O)N(C)C1CCNC1.
What is the InChIKey of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide?
The InChIKey is MBNTWGDXGIOKPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-4-17(5-2)14(19)8-6-7-13(18)16(3)12-9-10-15-11-12/h12,15H,4-11H2,1-3H3.
What are the key properties of N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide?
N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide has a molecular weight of 269.39 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-diethyl-N-methyl-N-pyrrolidin-3-ylpentanediamide is sourced from PubChem (CID 119550914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).