2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine

C12H21N3 — CID 106142118

IUPAC2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
SMILESCc1cc(NCC(C)(C)CCN)ccn1
InChIInChI=1S/C12H21N3/c1-10-8-11(4-7-14-10)15-9-12(2,3)5-6-13/h4,7-8H,5-6,9,13H2,1-3H3,(H,14,15)
InChIKeyXITIGHAIYVBZED-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.18
Rot. Bonds5

About 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine

2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine (PubChem CID 106142118) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
PubChem CID106142118
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine
SMILESCc1cc(NCC(C)(C)CCN)ccn1
InChIInChI=1S/C12H21N3/c1-10-8-11(4-7-14-10)15-9-12(2,3)5-6-13/h4,7-8H,5-6,9,13H2,1-3H3,(H,14,15)
InChIKeyXITIGHAIYVBZED-UHFFFAOYSA-N
XLogP2.18
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-amino-2,2-dimethylbutyl)amino]-N-methylpyridine-2-carboxamide
CID 114149238
N-[2-(chloromethyl)-2-ethylbutyl]-2-methylpyridin-4-amine
CID 106252961
4-[(4-amino-2,2-dimethylbutyl)amino]-N-ethylpyridine-2-carboxamide
CID 106142444
2-methyl-N-propylpyridin-4-amine
CID 79240818
N-(4-ethoxy-3-methylphenyl)-2,2-dimethylbutane-1,4-diamine
CID 115204209
4-[(2-fluoro-4-pyridinyl)amino]-3,3-dimethylbutan-1-ol
CID 106149289
4-[(3-amino-2,2-dimethylpropyl)amino]pyridine-2-carboxamide
CID 115366128
N-[(E)-but-2-enyl]-2-methylpyridin-4-amine
CID 131243959
2-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]pyridin-4-amine
CID 103512470
4-N-(4-amino-2,2-dimethylbutyl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 106142001
N-(2,2-dimethylbutyl)-2-methoxypyridin-4-amine
CID 103462625
2-(aminomethyl)-4,4-dimethyl-N-(2-methyl-4-pyridinyl)pentanamide
CID 107472380

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine (CID 106142118) is 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine is Cc1cc(NCC(C)(C)CCN)ccn1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine?
The InChIKey is XITIGHAIYVBZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-10-8-11(4-7-14-10)15-9-12(2,3)5-6-13/h4,7-8H,5-6,9,13H2,1-3H3,(H,14,15).
What are the key properties of 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine?
2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine has a molecular weight of 207.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-4-pyridinyl)butane-1,4-diamine is sourced from PubChem (CID 106142118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).