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

C12H21N3 — CID 43563996

IUPAC2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CN)N(C)Cc1ccncc1
InChIInChI=1S/C12H21N3/c1-10(2)12(8-13)15(3)9-11-4-6-14-7-5-11/h4-7,10,12H,8-9,13H2,1-3H3
InChIKeyZQNMQUQGACFCFA-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.50
Rot. Bonds5

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

2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (PubChem CID 43563996) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
PubChem CID43563996
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCC(C)C(CN)N(C)Cc1ccncc1
InChIInChI=1S/C12H21N3/c1-10(2)12(8-13)15(3)9-11-4-6-14-7-5-11/h4-7,10,12H,8-9,13H2,1-3H3
InChIKeyZQNMQUQGACFCFA-UHFFFAOYSA-N
XLogP1.50
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 61324758
2-N,3-dimethyl-1-N-(2-methylpropyl)-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 55074332
2-N-methyl-4-phenyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62880068
methyl 2-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanoate
CID 79406364
2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139
(1S)-1-(4-chlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethanamine
CID 138056238
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
N-methyl-1-pyridin-3-yl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43563998
1-(furan-3-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 63208399
1-(2-ethoxyphenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 43564017
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
1-N-methyl-1-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 43564094

Frequently Asked Questions

What is the IUPAC name of 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (CID 43563996) is 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine is CC(C)C(CN)N(C)Cc1ccncc1.
What is the InChIKey of 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The InChIKey is ZQNMQUQGACFCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10(2)12(8-13)15(3)9-11-4-6-14-7-5-11/h4-7,10,12H,8-9,13H2,1-3H3.
What are the key properties of 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine has a molecular weight of 207.32 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 43563996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).