1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

C15H28N4 — CID 79092747

IUPAC1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cccnc1N
InChIInChI=1S/C15H28N4/c1-4-10-17-14(9-12-19(5-2)6-3)13-8-7-11-18-15(13)16/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3,(H2,16,18)
InChIKeyMDWLIPFXHLDSEG-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.44
Rot. Bonds9

About 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine

1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (PubChem CID 79092747) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
PubChem CID79092747
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)CC)c1cccnc1N
InChIInChI=1S/C15H28N4/c1-4-10-17-14(9-12-19(5-2)6-3)13-8-7-11-18-15(13)16/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3,(H2,16,18)
InChIKeyMDWLIPFXHLDSEG-UHFFFAOYSA-N
XLogP2.44
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine 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

1-(2-amino-3-pyridinyl)-N',N'-diethylpropane-1,3-diamine
CID 79086742
N'-ethyl-1-(2-methylphenyl)-N,N'-dipropylpropane-1,3-diamine
CID 63483080
3-[2-(4-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66143025
3-[2-(3-chlorophenyl)sulfanyl-1-(propylamino)ethyl]pyridin-2-amine
CID 66146023
1-(2-chloro-5-fluorophenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 105395205
3-[1-(propan-2-ylamino)pentyl]pyridin-2-amine
CID 79412342
1-(2-methyl-3-pyridinyl)-N-propylnonan-1-amine
CID 105128020
1-(2-amino-4-methyl-3-pyridinyl)-N,N',N'-triethylpropane-1,3-diamine
CID 79087148
1-(4-bromothiophen-3-yl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79602867
3-[(3-ethyl-1,4-dithian-2-yl)-(propylamino)methyl]pyridin-2-amine
CID 115388238
1-(3,5-dimethylphenyl)-N',N'-diethyl-N-propylpropane-1,3-diamine
CID 79092551
3-(1-hydrazinyl-4-methylpentyl)pyridin-2-amine
CID 105207559

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The IUPAC name of 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine (CID 79092747) is 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)CC)c1cccnc1N.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
The InChIKey is MDWLIPFXHLDSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-4-10-17-14(9-12-19(5-2)6-3)13-8-7-11-18-15(13)16/h7-8,11,14,17H,4-6,9-10,12H2,1-3H3,(H2,16,18).
What are the key properties of 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine?
1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-N',N'-diethyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 79092747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).