2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine

C15H28N4 — CID 103191478

IUPAC2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1cnccc1N(CC)C(C)CN(C)C
InChIInChI=1S/C15H28N4/c1-6-16-10-14-11-17-9-8-15(14)19(7-2)13(3)12-18(4)5/h8-9,11,13,16H,6-7,10,12H2,1-5H3
InChIKeyKYKLGCHMSLDKJI-UHFFFAOYSA-N
MW264.42 g/mol
LogP1.97
Rot. Bonds8

About 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine

2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103191478) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103191478
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCCNCc1cnccc1N(CC)C(C)CN(C)C
InChIInChI=1S/C15H28N4/c1-6-16-10-14-11-17-9-8-15(14)19(7-2)13(3)12-18(4)5/h8-9,11,13,16H,6-7,10,12H2,1-5H3
InChIKeyKYKLGCHMSLDKJI-UHFFFAOYSA-N
XLogP1.97
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N-ethyl-2-N-[2-(ethylaminomethyl)phenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190068
2-N-ethyl-2-N-[5-(ethylaminomethyl)-2-methyl-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103191539
2-N-[5-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190004
3-(ethylaminomethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)pyridin-4-amine
CID 81246160
3-(ethylaminomethyl)-N-methyl-N-(2-phenylethyl)pyridin-4-amine
CID 81248283
2-N-ethyl-2-N-[4-(ethylaminomethyl)-2-methylphenyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190030
3-[(cyclopropylamino)methyl]-N-ethyl-N-propan-2-ylpyridin-4-amine
CID 81249309
2-N-[3-chloro-2-(ethylaminomethyl)phenyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103190017
3-(methylaminomethyl)-N-(2-methylpropyl)-N-propan-2-ylpyridin-4-amine
CID 81246316
N-ethyl-N-methyl-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81248510
3-(ethylaminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]pyridin-4-amine
CID 81246615
3-(ethylaminomethyl)-N-[(4-fluorophenyl)methyl]-N-methylpyridin-4-amine
CID 81246247

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine (CID 103191478) is 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine is CCNCc1cnccc1N(CC)C(C)CN(C)C.
What is the InChIKey of 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is KYKLGCHMSLDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-16-10-14-11-17-9-8-15(14)19(7-2)13(3)12-18(4)5/h8-9,11,13,16H,6-7,10,12H2,1-5H3.
What are the key properties of 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 1.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-2-N-[3-(ethylaminomethyl)-4-pyridinyl]-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103191478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).