N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine

C17H30N4 — CID 115939594

IUPACN,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
SMILESCCC(NC)c1ccc(N2CCC(N(CC)CC)C2)cn1
InChIInChI=1S/C17H30N4/c1-5-16(18-4)17-9-8-14(12-19-17)21-11-10-15(13-21)20(6-2)7-3/h8-9,12,15-16,18H,5-7,10-11,13H2,1-4H3
InChIKeyZDJZWOKTCXLADV-UHFFFAOYSA-N
MW290.46 g/mol
LogP2.67
Rot. Bonds7

About N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine

N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine (PubChem CID 115939594) has the molecular formula C17H30N4 and a molecular weight of 290.46 g/mol. Its IUPAC name is N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
PubChem CID115939594
Molecular FormulaC17H30N4
Molecular Weight290.46 g/mol
Exact Mass290.25
IUPAC NameN,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine
SMILESCCC(NC)c1ccc(N2CCC(N(CC)CC)C2)cn1
InChIInChI=1S/C17H30N4/c1-5-16(18-4)17-9-8-14(12-19-17)21-11-10-15(13-21)20(6-2)7-3/h8-9,12,15-16,18H,5-7,10-11,13H2,1-4H3
InChIKeyZDJZWOKTCXLADV-UHFFFAOYSA-N
XLogP2.67
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.46
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]piperidin-4-ol
CID 114678982
1-[5-[4-[(dimethylamino)methyl]piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 115939404
1-[5-[3-(methoxymethyl)piperidin-1-yl]-2-pyridinyl]-N-methylpropan-1-amine
CID 106587252
1-[5-(4-tert-butylpiperazin-1-yl)-2-pyridinyl]-N-methylpropan-1-amine
CID 115939349
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazine-2,6-dione
CID 112584497
1-[6-[1-(ethylamino)propyl]-3-pyridinyl]-4-methylpiperidin-3-ol
CID 102958934
8-[6-[1-(methylamino)propyl]-3-pyridinyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 115939641
5-[3-(diethylamino)pyrrolidin-1-yl]pyridine-2-carbothioamide
CID 115488587
4-[6-[1-(methylamino)propyl]-3-pyridinyl]piperazin-2-one
CID 112584096
1-[5-(4-methylpiperidin-1-yl)-2-pyridinyl]-N-propylpropan-1-amine
CID 115939163
N-methyl-1-[5-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-2-pyridinyl]propan-1-amine
CID 115939741
(1R)-1-[5-[3-(1-hydroxyethyl)pyrrolidin-1-yl]-2-pyridinyl]propan-1-ol
CID 113356003

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine?
The IUPAC name of N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine (CID 115939594) is N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine.
What is the SMILES notation for N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine?
The canonical SMILES for N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine is CCC(NC)c1ccc(N2CCC(N(CC)CC)C2)cn1.
What is the InChIKey of N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine?
The InChIKey is ZDJZWOKTCXLADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N4/c1-5-16(18-4)17-9-8-14(12-19-17)21-11-10-15(13-21)20(6-2)7-3/h8-9,12,15-16,18H,5-7,10-11,13H2,1-4H3.
What are the key properties of N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine?
N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine has a molecular weight of 290.46 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[6-[1-(methylamino)propyl]-3-pyridinyl]pyrrolidin-3-amine is sourced from PubChem (CID 115939594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).