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

C11H19N3O — CID 116652940

IUPAC1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1ocnc1CN(C)C(CN)C1CC1
InChIInChI=1S/C11H19N3O/c1-8-10(13-7-15-8)6-14(2)11(5-12)9-3-4-9/h7,9,11H,3-6,12H2,1-2H3
InChIKeyRNMNIBNHYSYPTI-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.15
Rot. Bonds5

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

1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (PubChem CID 116652940) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
PubChem CID116652940
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine
SMILESCc1ocnc1CN(C)C(CN)C1CC1
InChIInChI=1S/C11H19N3O/c1-8-10(13-7-15-8)6-14(2)11(5-12)9-3-4-9/h7,9,11H,3-6,12H2,1-2H3
InChIKeyRNMNIBNHYSYPTI-UHFFFAOYSA-N
XLogP1.15
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopropyl-N-methyl-N-[(6-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651532
1-cyclopropyl-N-methyl-N-(pyrazin-2-ylmethyl)ethane-1,2-diamine
CID 116652924
1-cyclopropyl-N-[(3,6-dichloro-2-pyridinyl)methyl]-N-methylethane-1,2-diamine
CID 116652443
1-cyclopropyl-N-methyl-N-[(2-methylpyrazol-3-yl)methyl]ethane-1,2-diamine
CID 116651200
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 102841973
1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651521
1-cyclopropyl-N-methyl-N-[(4-methyl-3-pyridinyl)methyl]ethane-1,2-diamine
CID 116651217
1-cyclopropyl-N-[(5-ethylthiophen-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651199
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-(oxan-4-yl)ethane-1,2-diamine
CID 55261914
1-cyclopropyl-N-[(1-ethylimidazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652775
1-cyclopropyl-N-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116652934
N-[(4-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 116651270

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The IUPAC name of 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine (CID 116652940) is 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine.
What is the SMILES notation for 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The canonical SMILES for 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is Cc1ocnc1CN(C)C(CN)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
The InChIKey is RNMNIBNHYSYPTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-10(13-7-15-8)6-14(2)11(5-12)9-3-4-9/h7,9,11H,3-6,12H2,1-2H3.
What are the key properties of 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine?
1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine has a molecular weight of 209.29 g/mol, XLogP of 1.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-methyl-N-[(5-methyl-1,3-oxazol-4-yl)methyl]ethane-1,2-diamine is sourced from PubChem (CID 116652940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).