N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine

C13H24N4 — CID 113328871

IUPACN'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1ccnc(C)n1)CC(C)(C)CN
InChIInChI=1S/C13H24N4/c1-5-17(10-13(3,4)9-14)8-12-6-7-15-11(2)16-12/h6-7H,5,8-10,14H2,1-4H3
InChIKeyIGVNCIBSDVKKTK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.59
Rot. Bonds6

About N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine

N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine (PubChem CID 113328871) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine
PubChem CID113328871
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine
SMILESCCN(Cc1ccnc(C)n1)CC(C)(C)CN
InChIInChI=1S/C13H24N4/c1-5-17(10-13(3,4)9-14)8-12-6-7-15-11(2)16-12/h6-7H,5,8-10,14H2,1-4H3
InChIKeyIGVNCIBSDVKKTK-UHFFFAOYSA-N
XLogP1.59
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79668037
N'-ethyl-2,2-dimethyl-N'-(quinolin-6-ylmethyl)propane-1,3-diamine
CID 79660851
N'-benzyl-N'-[(2-methylpyrimidin-4-yl)methyl]ethane-1,2-diamine
CID 106511380
2-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 115529576
2,2-dimethyl-N'-propyl-N'-(pyridin-2-ylmethyl)propane-1,3-diamine
CID 79668381
3-[ethyl-[(2-methylpyrimidin-4-yl)methyl]amino]-2-methylpropanoic acid
CID 115529580
N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine
CID 79664342
2-[[(3-amino-2,2-dimethylpropyl)-ethylamino]methyl]-4-methylphenol
CID 79660939
N'-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-N'-ethyl-2,2-dimethylpropane-1,3-diamine
CID 79668122
2-(2-methylpyrimidin-4-yl)ethanamine;hydrochloride
CID 129319573
N'-[(6-methoxy-2-pyridinyl)methyl]-2,2-dimethyl-N'-propylpropane-1,3-diamine
CID 79661676
N'-ethyl-2,2-dimethyl-N'-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]propane-1,3-diamine
CID 79668375

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine (CID 113328871) is N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine is CCN(Cc1ccnc(C)n1)CC(C)(C)CN.
What is the InChIKey of N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine?
The InChIKey is IGVNCIBSDVKKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-5-17(10-13(3,4)9-14)8-12-6-7-15-11(2)16-12/h6-7H,5,8-10,14H2,1-4H3.
What are the key properties of N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine?
N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine has a molecular weight of 236.36 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-2,2-dimethyl-N'-[(2-methylpyrimidin-4-yl)methyl]propane-1,3-diamine is sourced from PubChem (CID 113328871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).