1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine

C14H25N3 — CID 62038864

IUPAC1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCCNC(CC)CN(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-14(16-5-2)12-17(6-3)11-13-7-9-15-10-8-13/h7-10,14,16H,4-6,11-12H2,1-3H3
InChIKeyYKMXWVPUXWVJOQ-UHFFFAOYSA-N
MW235.38 g/mol
LogP2.29
Rot. Bonds8

About 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine

1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine (PubChem CID 62038864) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
PubChem CID62038864
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCCNC(CC)CN(CC)Cc1ccncc1
InChIInChI=1S/C14H25N3/c1-4-14(16-5-2)12-17(6-3)11-13-7-9-15-10-8-13/h7-10,14,16H,4-6,11-12H2,1-3H3
InChIKeyYKMXWVPUXWVJOQ-UHFFFAOYSA-N
XLogP2.29
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-N,4-N-diethyl-1-N-(pyridin-4-ylmethyl)hexane-1,4-diamine
CID 106799552
1-N-ethyl-3-methoxy-2-N-propyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 107505531
1-(ethylamino)-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 54948256
N-ethyl-1-pyridin-4-ylpentan-3-amine
CID 105078896
1-chloro-3-[ethyl(pyridin-4-ylmethyl)amino]propan-2-ol
CID 112561407
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
N-ethyl-2-methyl-N'-propyl-N-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 62429709
N-[[4-(aminomethyl)phenyl]methyl]-2-ethyl-N-(pyridin-4-ylmethyl)butan-1-amine
CID 23992654
N'-ethyl-2-propyl-N'-(pyridin-4-ylmethyl)propane-1,3-diamine
CID 65233301
1-N-ethyl-4-methyl-1-N-(pyridin-4-ylmethyl)pentane-1,2-diamine
CID 54948017
1-cyclopropyl-N'-ethyl-N-methyl-N'-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63914966
N,5-diethyl-1-pyridin-4-ylheptan-3-amine
CID 105176845

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine (CID 62038864) is 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine is CCNC(CC)CN(CC)Cc1ccncc1.
What is the InChIKey of 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The InChIKey is YKMXWVPUXWVJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-14(16-5-2)12-17(6-3)11-13-7-9-15-10-8-13/h7-10,14,16H,4-6,11-12H2,1-3H3.
What are the key properties of 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine has a molecular weight of 235.38 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-diethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 62038864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).