3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine

C10H17N3 — CID 63225574

IUPAC3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ccccn1
InChIInChI=1S/C10H17N3/c1-9(6-7-11)13(2)10-5-3-4-8-12-10/h3-5,8-9H,6-7,11H2,1-2H3
InChIKeyARFRPFFKTLYRAA-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.26
Rot. Bonds4

About 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine

3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine (PubChem CID 63225574) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
PubChem CID63225574
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine
SMILESCC(CCN)N(C)c1ccccn1
InChIInChI=1S/C10H17N3/c1-9(6-7-11)13(2)10-5-3-4-8-12-10/h3-5,8-9H,6-7,11H2,1-2H3
InChIKeyARFRPFFKTLYRAA-UHFFFAOYSA-N
XLogP1.26
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-N-methyl-3-N-(4-methyl-2-pyridinyl)butane-1,3-diamine
CID 63225571
3-N-methyl-3-N-pyrazin-2-ylbutane-1,3-diamine
CID 63225624
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
3-N-methyl-3-N-quinolin-2-ylbutane-1,3-diamine
CID 63225623
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine
CID 91614077
2-ethyl-N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 115251395
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
N-methyl-N-pyridin-2-ylpyridin-2-amine
CID 14365053
N,N-dimethyl-N'-(1-phenylethyl)-N'-pyridin-2-ylethane-1,2-diamine
CID 3022193
N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine
CID 175404496
3-N-(5-bromopyrimidin-2-yl)-3-N-methylbutane-1,3-diamine
CID 63873576

Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine?
The IUPAC name of 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine (CID 63225574) is 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine?
The canonical SMILES for 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine is CC(CCN)N(C)c1ccccn1.
What is the InChIKey of 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine?
The InChIKey is ARFRPFFKTLYRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(6-7-11)13(2)10-5-3-4-8-12-10/h3-5,8-9H,6-7,11H2,1-2H3.
What are the key properties of 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine?
3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine has a molecular weight of 179.27 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-3-N-pyridin-2-ylbutane-1,3-diamine is sourced from PubChem (CID 63225574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).