1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine

C12H23N3O — CID 115317920

IUPAC1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
SMILESCc1cc(CN(C)CCC(N)C(C)C)on1
InChIInChI=1S/C12H23N3O/c1-9(2)12(13)5-6-15(4)8-11-7-10(3)14-16-11/h7,9,12H,5-6,8,13H2,1-4H3
InChIKeyKXOGMHGJHXNLNA-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.79
Rot. Bonds6

About 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine

1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine (PubChem CID 115317920) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine.

Molecular Properties

Compound Name1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
PubChem CID115317920
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine
SMILESCc1cc(CN(C)CCC(N)C(C)C)on1
InChIInChI=1S/C12H23N3O/c1-9(2)12(13)5-6-15(4)8-11-7-10(3)14-16-11/h7,9,12H,5-6,8,13H2,1-4H3
InChIKeyKXOGMHGJHXNLNA-UHFFFAOYSA-N
XLogP1.79
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-methyl-N'-[(3-methyl-1,2-oxazol-5-yl)methyl]ethane-1,2-diamine
CID 62686290
1-N-[(5-ethylfuran-2-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 113285437
1-N-[(2,5-dimethylpyrazol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 113285556
N-methyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]but-2-yn-1-amine
CID 130920640
1-N-[(2,4-dimethylphenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317239
2-[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 135099990
1-N-[(3-butyl-1,2,4-oxadiazol-5-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490108
N-[(2S)-3-methylbutan-2-yl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 95289560
4-[[methyl-[(3-methyl-1,2-oxazol-5-yl)methyl]amino]methyl]benzoic acid
CID 54885490
1-N-[(3,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490653
1-N,4-dimethyl-1-N-[(1-methylimidazol-2-yl)methyl]pentane-1,3-diamine
CID 115317863
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420

Frequently Asked Questions

What is the IUPAC name of 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine?
The IUPAC name of 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine (CID 115317920) is 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine.
What is the SMILES notation for 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine?
The canonical SMILES for 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine is Cc1cc(CN(C)CCC(N)C(C)C)on1.
What is the InChIKey of 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine?
The InChIKey is KXOGMHGJHXNLNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-9(2)12(13)5-6-15(4)8-11-7-10(3)14-16-11/h7,9,12H,5-6,8,13H2,1-4H3.
What are the key properties of 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine?
1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine has a molecular weight of 225.34 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,4-dimethyl-1-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pentane-1,3-diamine is sourced from PubChem (CID 115317920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).