2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

C15H28N4 — CID 103189419

IUPAC2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC[C@@H](N)c1ccc(N(CC)C(C)CN(C)C)cn1
InChIInChI=1S/C15H28N4/c1-6-14(16)15-9-8-13(10-17-15)19(7-2)12(3)11-18(4)5/h8-10,12,14H,6-7,11,16H2,1-5H3/t12?,14-/m1/s1
InChIKeyPQIVPOLUEGNDGJ-TYZXPVIJSA-N
MW264.42 g/mol
LogP2.27
Rot. Bonds7

About 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine

2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (PubChem CID 103189419) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.

Molecular Properties

Compound Name2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
PubChem CID103189419
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
SMILESCC[C@@H](N)c1ccc(N(CC)C(C)CN(C)C)cn1
InChIInChI=1S/C15H28N4/c1-6-14(16)15-9-8-13(10-17-15)19(7-2)12(3)11-18(4)5/h8-10,12,14H,6-7,11,16H2,1-5H3/t12?,14-/m1/s1
InChIKeyPQIVPOLUEGNDGJ-TYZXPVIJSA-N
XLogP2.27
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine with MolForge

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Related Compounds

1-[5-[1-(dimethylamino)propan-2-yl-ethylamino]-2-pyridinyl]ethanol
CID 103189789
2-N-ethyl-1-N,1-N-dimethyl-2-N-[6-[1-(propylamino)ethyl]-3-pyridinyl]propane-1,2-diamine
CID 103189382
6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036
6-(1-aminopropyl)-N,N-bis(2-methylpropyl)pyridin-3-amine
CID 112584255
6-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 103937401
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975
6-(1-aminopropyl)-N-benzyl-N-propan-2-ylpyridin-3-amine
CID 115939177
(1S)-1-[5-[butan-2-yl(ethyl)amino]-2-pyridinyl]ethanol
CID 83132626
6-(1-aminopropyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-3-amine
CID 112584377
6-(1-aminopropyl)-N-ethyl-N-phenylpyridin-3-amine
CID 112584084
6-[(1S)-1-aminopropyl]-N-cyclopropyl-N-ethylpyridin-3-amine
CID 103936962
6-[(1R)-1-aminopropyl]-N,N-dibutylpyridin-3-amine
CID 103936956

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The IUPAC name of 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine (CID 103189419) is 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine.
What is the SMILES notation for 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The canonical SMILES for 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is CC[C@@H](N)c1ccc(N(CC)C(C)CN(C)C)cn1.
What is the InChIKey of 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
The InChIKey is PQIVPOLUEGNDGJ-TYZXPVIJSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-14(16)15-9-8-13(10-17-15)19(7-2)12(3)11-18(4)5/h8-10,12,14H,6-7,11,16H2,1-5H3/t12?,14-/m1/s1.
What are the key properties of 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine?
2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine has a molecular weight of 264.42 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-[(1R)-1-aminopropyl]-3-pyridinyl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine is sourced from PubChem (CID 103189419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).