N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine

C16H30N4 — CID 102995293

IUPACN,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(CNC)cn1
InChIInChI=1S/C16H30N4/c1-5-19(6-2)11-8-12-20(7-3)16-10-9-15(13-17-4)14-18-16/h9-10,14,17H,5-8,11-13H2,1-4H3
InChIKeyQIDZDPGCNGFQBY-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.36
Rot. Bonds10

About N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine

N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine (PubChem CID 102995293) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
PubChem CID102995293
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine
SMILESCCN(CC)CCCN(CC)c1ccc(CNC)cn1
InChIInChI=1S/C16H30N4/c1-5-19(6-2)11-8-12-20(7-3)16-10-9-15(13-17-4)14-18-16/h9-10,14,17H,5-8,11-13H2,1-4H3
InChIKeyQIDZDPGCNGFQBY-UHFFFAOYSA-N
XLogP2.36
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(methylaminomethyl)-N,N-dipropylpyridin-2-amine
CID 62284274
N,N,N'-triethyl-N'-[4-(methylaminomethyl)phenyl]propane-1,3-diamine
CID 102995290
N-ethyl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62280400
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]-N,N-dimethylacetamide
CID 80630363
5-(methylaminomethyl)-N,N-bis(3-methylbutyl)pyridin-2-amine
CID 107870528
3-[ethyl-[5-[(propan-2-ylamino)methyl]-2-pyridinyl]amino]propan-1-ol
CID 113468825
N-butyl-5-(chloromethyl)-N-ethylpyridin-2-amine
CID 61256376
N-cyclopropyl-N-ethyl-5-(methylaminomethyl)pyridin-2-amine
CID 62279376
N-butan-2-yl-N-methyl-5-(methylaminomethyl)pyridin-2-amine
CID 62281072
N-butyl-N-cyclopropyl-5-(methylaminomethyl)pyridin-2-amine
CID 62283747
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methyl-3-(methylamino)propanamide
CID 119846374

Frequently Asked Questions

What is the IUPAC name of N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine (CID 102995293) is N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine is CCN(CC)CCCN(CC)c1ccc(CNC)cn1.
What is the InChIKey of N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine?
The InChIKey is QIDZDPGCNGFQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-19(6-2)11-8-12-20(7-3)16-10-9-15(13-17-4)14-18-16/h9-10,14,17H,5-8,11-13H2,1-4H3.
What are the key properties of N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine?
N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine has a molecular weight of 278.44 g/mol, XLogP of 2.36, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N'-triethyl-N'-[5-(methylaminomethyl)-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 102995293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).