3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine

C14H25N3 — CID 79062650

IUPAC3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1ccncc1)N(C)C
InChIInChI=1S/C14H25N3/c1-5-14(6-2,17(3)4)13(15)11-12-7-9-16-10-8-12/h7-10,13H,5-6,11,15H2,1-4H3
InChIKeyMCKOLTRPJZHWGL-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.07
Rot. Bonds6

About 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine

3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine (PubChem CID 79062650) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine.

Molecular Properties

Compound Name3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine
PubChem CID79062650
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine
SMILESCCC(CC)(C(N)Cc1ccncc1)N(C)C
InChIInChI=1S/C14H25N3/c1-5-14(6-2,17(3)4)13(15)11-12-7-9-16-10-8-12/h7-10,13H,5-6,11,15H2,1-4H3
InChIKeyMCKOLTRPJZHWGL-UHFFFAOYSA-N
XLogP2.07
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-ethyl-2-N,3-N,3-N-trimethyl-1-pyridin-4-ylpentane-2,3-diamine
CID 79062287
3-ethyl-3-methoxy-1-pyridin-4-ylpentan-2-amine
CID 116760495
4-ethyl-4-N,4-N-dimethyl-1-(2-methylpyrazol-3-yl)hexane-3,4-diamine
CID 103011097
1-(5-chloro-2-fluorophenyl)-3-ethyl-3-N,3-N-dimethylpentane-2,3-diamine
CID 103048857
(3-ethyl-3-phenyl-1-pyridin-4-ylpentan-2-yl)hydrazine
CID 105217752
1-pyridin-4-ylbutane-2,3-diamine
CID 91386861
3-propyl-1-pyridin-4-ylhexan-2-amine
CID 82987506
(1R)-2-ethyl-2-N,2-N-dimethyl-1-phenylbutane-1,2-diamine
CID 124511355
(2S)-2-amino-N,N-dimethyl-3-pyridin-4-ylpropanamide
CID 67430342
2-ethyl-2-N,2-N-dimethyl-1-[4-(trifluoromethyl)-3-pyridinyl]butane-1,2-diamine
CID 102708312
dichloroplatinum;3-ethyl-1-phenylpentane-2,3-diamine
CID 14577046
1-phenyl-2-pyridin-4-ylethanamine
CID 10465342

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine?
The IUPAC name of 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine (CID 79062650) is 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine.
What is the SMILES notation for 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine?
The canonical SMILES for 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine is CCC(CC)(C(N)Cc1ccncc1)N(C)C.
What is the InChIKey of 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine?
The InChIKey is MCKOLTRPJZHWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-14(6-2,17(3)4)13(15)11-12-7-9-16-10-8-12/h7-10,13H,5-6,11,15H2,1-4H3.
What are the key properties of 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine?
3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-N,3-N-dimethyl-1-pyridin-4-ylpentane-2,3-diamine is sourced from PubChem (CID 79062650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).