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

C13H23N3 — CID 79408815

IUPAC1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1ccccn1
InChIInChI=1S/C13H23N3/c1-11(9-14-3)12(2)16(4)10-13-7-5-6-8-15-13/h5-8,11-12,14H,9-10H2,1-4H3
InChIKeyKDZHUXYSAAZUEP-UHFFFAOYSA-N
MW221.35 g/mol
LogP1.76
Rot. Bonds6

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

1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine (PubChem CID 79408815) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine.

Molecular Properties

Compound Name1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
PubChem CID79408815
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
SMILESCNCC(C)C(C)N(C)Cc1ccccn1
InChIInChI=1S/C13H23N3/c1-11(9-14-3)12(2)16(4)10-13-7-5-6-8-15-13/h5-8,11-12,14H,9-10H2,1-4H3
InChIKeyKDZHUXYSAAZUEP-UHFFFAOYSA-N
XLogP1.76
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-methylsulfonyl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 56790019
2-N-ethyl-4-N-methyl-4-N-(pyridin-2-ylmethyl)pentane-2,4-diamine
CID 64706979
1-(methylamino)-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 43564841
1-N-butyl-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 55089385
(1R,2R)-N,N'-dimethyl-1,2-diphenyl-N,N'-bis(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 177492952
3-N-methyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine
CID 60914164
N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
1-(methylamino)-3-[methyl(2-pyridin-2-ylethyl)amino]propan-2-ol
CID 43187938
3-[methyl(pyridin-2-ylmethyl)amino]butanethioamide
CID 60914342
4-[methyl(pyridin-2-ylmethyl)amino]pentanehydrazide
CID 63572365
N-methyl-2-(pyridin-2-ylmethyl)butan-1-amine
CID 116931877

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
The IUPAC name of 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine (CID 79408815) is 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine.
What is the SMILES notation for 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
The canonical SMILES for 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine is CNCC(C)C(C)N(C)Cc1ccccn1.
What is the InChIKey of 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
The InChIKey is KDZHUXYSAAZUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-11(9-14-3)12(2)16(4)10-13-7-5-6-8-15-13/h5-8,11-12,14H,9-10H2,1-4H3.
What are the key properties of 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine?
1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine has a molecular weight of 221.35 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N,2-trimethyl-3-N-(pyridin-2-ylmethyl)butane-1,3-diamine is sourced from PubChem (CID 79408815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).