6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine

C13H25N7 — CID 106635842

IUPAC6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCN(Cc1nc(N)nc(N)n1)CC1CCCCN1
InChIInChI=1S/C13H25N7/c1-2-7-20(8-10-5-3-4-6-16-10)9-11-17-12(14)19-13(15)18-11/h10,16H,2-9H2,1H3,(H4,14,15,17,18,19)
InChIKeyPMNKSURPJZVHIG-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.39
Rot. Bonds6

About 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine

6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine (PubChem CID 106635842) has the molecular formula C13H25N7 and a molecular weight of 279.39 g/mol. Its IUPAC name is 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
PubChem CID106635842
Molecular FormulaC13H25N7
Molecular Weight279.39 g/mol
Exact Mass279.22
IUPAC Name6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine
SMILESCCCN(Cc1nc(N)nc(N)n1)CC1CCCCN1
InChIInChI=1S/C13H25N7/c1-2-7-20(8-10-5-3-4-6-16-10)9-11-17-12(14)19-13(15)18-11/h10,16H,2-9H2,1H3,(H4,14,15,17,18,19)
InChIKeyPMNKSURPJZVHIG-UHFFFAOYSA-N
XLogP0.39
TPSA105.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(piperidin-2-ylmethyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propan-1-amine
CID 106635960
N-(piperidin-2-ylmethyl)-N-[(3-propyl-1,2,4-oxadiazol-5-yl)methyl]propan-1-amine
CID 106636093
N-[(2,5-difluorophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106623577
N-(1,2-oxazol-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635999
N-(piperidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)propan-1-amine
CID 106623603
N-(cycloheptylmethyl)-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106604137
N-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106615842
4-[[piperidin-2-ylmethyl(propyl)amino]methyl]benzene-1,2-diol
CID 106623196
N-[(4-chloro-2-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106636023
N-(piperidin-2-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-1-amine
CID 106635856
2-[piperidin-2-ylmethyl(propyl)amino]acetonitrile
CID 106636097
N-(1,3-benzothiazol-2-ylmethyl)-N-(piperidin-2-ylmethyl)propan-1-amine
CID 106635789

Frequently Asked Questions

What is the IUPAC name of 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine (CID 106635842) is 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine is CCCN(Cc1nc(N)nc(N)n1)CC1CCCCN1.
What is the InChIKey of 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is PMNKSURPJZVHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N7/c1-2-7-20(8-10-5-3-4-6-16-10)9-11-17-12(14)19-13(15)18-11/h10,16H,2-9H2,1H3,(H4,14,15,17,18,19).
What are the key properties of 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine?
6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 279.39 g/mol, XLogP of 0.39, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[piperidin-2-ylmethyl(propyl)amino]methyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 106635842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).