N,N-diethyl-3-pyridin-3-ylpropan-1-amine

C12H20N2 — CID 121009449

IUPACN,N-diethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCN(CC)CCCc1cccnc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)10-6-8-12-7-5-9-13-11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyKVNDDASOLCLRSO-UHFFFAOYSA-N
MW192.31 g/mol
LogP2.36
Rot. Bonds6

About N,N-diethyl-3-pyridin-3-ylpropan-1-amine

N,N-diethyl-3-pyridin-3-ylpropan-1-amine (PubChem CID 121009449) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N,N-diethyl-3-pyridin-3-ylpropan-1-amine.

Molecular Properties

Compound NameN,N-diethyl-3-pyridin-3-ylpropan-1-amine
PubChem CID121009449
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN,N-diethyl-3-pyridin-3-ylpropan-1-amine
SMILESCCN(CC)CCCc1cccnc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)10-6-8-12-7-5-9-13-11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3
InChIKeyKVNDDASOLCLRSO-UHFFFAOYSA-N
XLogP2.36
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N,N-diethyl-3-pyridin-3-ylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-ethyl-N'-(2-pyridin-3-ylethyl)propane-1,3-diamine
CID 63264719
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416
N,N-diethyl-2-(pyridin-3-ylmethoxy)ethanamine
CID 3025101
ethane;4-pyridin-3-ylbutan-1-ol
CID 177219832
azane;N,N-diethyl-3-phenylpropan-1-amine;hydroiodide
CID 175520694
N-[3-(diethylamino)propyl]-N'-(pyridin-3-ylmethyl)oxamide
CID 108506711
3-[ethyl(2-pyridin-3-ylethyl)amino]propanethioamide
CID 63264785
N-[2-[2-(diethylamino)ethoxy]ethyl]-4-pyridin-3-ylbutanamide
CID 110612739
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
3-[3-(diethylamino)propyl]-1-[[4-(dimethylamino)phenyl]methyl]-1-(pyridin-3-ylmethyl)thiourea
CID 3257613

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-pyridin-3-ylpropan-1-amine?
The IUPAC name of N,N-diethyl-3-pyridin-3-ylpropan-1-amine (CID 121009449) is N,N-diethyl-3-pyridin-3-ylpropan-1-amine.
What is the SMILES notation for N,N-diethyl-3-pyridin-3-ylpropan-1-amine?
The canonical SMILES for N,N-diethyl-3-pyridin-3-ylpropan-1-amine is CCN(CC)CCCc1cccnc1.
What is the InChIKey of N,N-diethyl-3-pyridin-3-ylpropan-1-amine?
The InChIKey is KVNDDASOLCLRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-14(4-2)10-6-8-12-7-5-9-13-11-12/h5,7,9,11H,3-4,6,8,10H2,1-2H3.
What are the key properties of N,N-diethyl-3-pyridin-3-ylpropan-1-amine?
N,N-diethyl-3-pyridin-3-ylpropan-1-amine has a molecular weight of 192.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-pyridin-3-ylpropan-1-amine is sourced from PubChem (CID 121009449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).