(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine

C16H22N4 — CID 102044881

IUPAC(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
SMILESCC[C@@H](N)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C16H22N4/c1-2-14(17)11-20(12-15-7-3-5-9-18-15)13-16-8-4-6-10-19-16/h3-10,14H,2,11-13,17H2,1H3/t14-/m1/s1
InChIKeyBENFINDPTDGJFK-CQSZACIVSA-N
MW270.38 g/mol
LogP2.22
Rot. Bonds7

About (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine

(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine (PubChem CID 102044881) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
PubChem CID102044881
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine
SMILESCC[C@@H](N)CN(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C16H22N4/c1-2-14(17)11-20(12-15-7-3-5-9-18-15)13-16-8-4-6-10-19-16/h3-10,14H,2,11-13,17H2,1H3/t14-/m1/s1
InChIKeyBENFINDPTDGJFK-CQSZACIVSA-N
XLogP2.22
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
2-(2-aminobutyl)-N-methyl-N-(pyridin-2-ylmethyl)aniline
CID 63786813
1-[ethyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 78998409
N-[[3,5-bis[[bis(pyridin-2-ylmethyl)amino]methyl]-2,4,6-triethylphenyl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 15846287
N'-[2-[2-aminoethyl(pyridin-2-ylmethyl)amino]ethyl]-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 141183733
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
[ethyl(pyridin-2-ylmethyl)amino]methanol
CID 20707216
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
copper;bis(N'-[2-(dimethylamino)ethyl]-N,N-dimethyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine);hydrogen peroxide
CID 58058036
4-amino-1-pyridin-2-ylhexan-2-one
CID 116609167
2-amino-4-[bis(pyridin-2-ylmethyl)amino]butanoic acid
CID 170716889

Frequently Asked Questions

What is the IUPAC name of (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine?
The IUPAC name of (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine (CID 102044881) is (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine?
The canonical SMILES for (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine is CC[C@@H](N)CN(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine?
The InChIKey is BENFINDPTDGJFK-CQSZACIVSA-N. The full InChI is InChI=1S/C16H22N4/c1-2-14(17)11-20(12-15-7-3-5-9-18-15)13-16-8-4-6-10-19-16/h3-10,14H,2,11-13,17H2,1H3/t14-/m1/s1.
What are the key properties of (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine?
(2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine has a molecular weight of 270.38 g/mol, XLogP of 2.22, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-N,1-N-bis(pyridin-2-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 102044881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).