1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine

C14H25N3 — CID 54948462

IUPAC1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(N)C(C)(C)C
InChIInChI=1S/C14H25N3/c1-5-17(11-13(15)14(2,3)4)10-12-6-8-16-9-7-12/h6-9,13H,5,10-11,15H2,1-4H3
InChIKeyDJKLWHBOBOEEKP-UHFFFAOYSA-N
MW235.37 g/mol
LogP2.28
Rot. Bonds5

About 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine

1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine (PubChem CID 54948462) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
PubChem CID54948462
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC Name1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCCN(Cc1ccncc1)CC(N)C(C)(C)C
InChIInChI=1S/C14H25N3/c1-5-17(11-13(15)14(2,3)4)10-12-6-8-16-9-7-12/h6-9,13H,5,10-11,15H2,1-4H3
InChIKeyDJKLWHBOBOEEKP-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-N-benzyl-1-N-ethyl-3,3-dimethylbutane-1,2-diamine
CID 130522054
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
1-N-ethyl-1-N-(pyridin-4-ylmethyl)hexane-1,2-diamine
CID 54948170
1-N-ethyl-2-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 61449476
1-N-ethyl-3-methyl-1-N-(pyridin-4-ylmethyl)butane-1,3-diamine
CID 64677497
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
N'-ethyl-2-methoxy-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 106114657
1-[ethyl(pyridin-4-ylmethyl)amino]-2-methylpropan-2-ol
CID 61449194
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
2-ethoxy-N'-ethyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 55146279
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256

Frequently Asked Questions

What is the IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine (CID 54948462) is 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine is CCN(Cc1ccncc1)CC(N)C(C)(C)C.
What is the InChIKey of 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The InChIKey is DJKLWHBOBOEEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-5-17(11-13(15)14(2,3)4)10-12-6-8-16-9-7-12/h6-9,13H,5,10-11,15H2,1-4H3.
What are the key properties of 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine has a molecular weight of 235.37 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 54948462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).