(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine

C14H25N3 — CID 94174191

IUPAC(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
SMILESCC[C@@H](C)[C@@H](N)CN(C)CCc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-12(2)14(15)11-17(3)10-7-13-5-8-16-9-6-13/h5-6,8-9,12,14H,4,7,10-11,15H2,1-3H3/t12-,14+/m1/s1
InChIKeyMSXXWKCWHXGNDA-OCCSQVGLSA-N
MW235.38 g/mol
LogP1.93
Rot. Bonds7

About (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine

(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine (PubChem CID 94174191) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
PubChem CID94174191
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine
SMILESCC[C@@H](C)[C@@H](N)CN(C)CCc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-12(2)14(15)11-17(3)10-7-13-5-8-16-9-6-13/h5-6,8-9,12,14H,4,7,10-11,15H2,1-3H3/t12-,14+/m1/s1
InChIKeyMSXXWKCWHXGNDA-OCCSQVGLSA-N
XLogP1.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 7138367
2-N-methyl-2-N-(2-pyridin-4-ylethyl)pentane-2,3-diamine
CID 60913377
4-methoxy-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 62476974
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
2-ethyl-1-N-methyl-1-N-(2-pyridin-4-ylethyl)butane-1,2-diamine
CID 79812656
2-(1-aminopropyl)-N-methyl-N-(2-pyridin-4-ylethyl)aniline
CID 115994911
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
1-N-[2-(4-butan-2-ylphenyl)ethyl]-1-N-methylpropane-1,2-diamine
CID 115196909
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094
1-(2-methoxyethoxy)-3-[methyl(2-pyridin-4-ylethyl)amino]propan-2-ol
CID 106991778
N,2-diethyl-N-(2-pyridin-4-ylethyl)butan-1-amine
CID 78896115

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine?
The IUPAC name of (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine (CID 94174191) is (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine.
What is the SMILES notation for (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine?
The canonical SMILES for (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine is CC[C@@H](C)[C@@H](N)CN(C)CCc1ccncc1.
What is the InChIKey of (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine?
The InChIKey is MSXXWKCWHXGNDA-OCCSQVGLSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-12(2)14(15)11-17(3)10-7-13-5-8-16-9-6-13/h5-6,8-9,12,14H,4,7,10-11,15H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine?
(2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 1.93, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-N,3-dimethyl-1-N-(2-pyridin-4-ylethyl)pentane-1,2-diamine is sourced from PubChem (CID 94174191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).