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

C13H23N3 — CID 61324758

IUPAC2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCN(Cc1ccncc1)C(CN)C(C)(C)C
InChIInChI=1S/C13H23N3/c1-13(2,3)12(9-14)16(4)10-11-5-7-15-8-6-11/h5-8,12H,9-10,14H2,1-4H3
InChIKeyVGEHJKNDCLFECR-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.89
Rot. Bonds4

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

2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (PubChem CID 61324758) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
PubChem CID61324758
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
SMILESCN(Cc1ccncc1)C(CN)C(C)(C)C
InChIInChI=1S/C13H23N3/c1-13(2,3)12(9-14)16(4)10-11-5-7-15-8-6-11/h5-8,12H,9-10,14H2,1-4H3
InChIKeyVGEHJKNDCLFECR-UHFFFAOYSA-N
XLogP1.89
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,3,3-trimethyl-2-N-(pyridin-3-ylmethyl)butane-1,2-diamine
CID 61324757
2-N,3-dimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 43563996
2-N-[(4-methoxyphenyl)methyl]-2-N,3,3-trimethylbutane-1,2-diamine
CID 61420505
2-N-ethyl-3,3,3-trifluoro-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 54947943
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
2-N-methyl-4-phenyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 62880068
1-(3,5-dichlorophenyl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 60790409
N-methyl-1-(6-methyl-3-pyridinyl)-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 104822149
2-N-propan-2-yl-2-N-(pyridin-4-ylmethyl)propane-1,2-diamine
CID 112709139
1-N-ethyl-3,3-dimethyl-1-N-(pyridin-4-ylmethyl)butane-1,2-diamine
CID 54948462
1-(1-ethylpyrazol-4-yl)-N-methyl-N-(pyridin-4-ylmethyl)ethane-1,2-diamine
CID 103569459

Frequently Asked Questions

What is the IUPAC name of 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine (CID 61324758) is 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine is CN(Cc1ccncc1)C(CN)C(C)(C)C.
What is the InChIKey of 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
The InChIKey is VGEHJKNDCLFECR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-13(2,3)12(9-14)16(4)10-11-5-7-15-8-6-11/h5-8,12H,9-10,14H2,1-4H3.
What are the key properties of 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine?
2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3,3-trimethyl-2-N-(pyridin-4-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 61324758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).