4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine

C11H24N2O — CID 63859672

IUPAC4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)CC1CC1C
InChIInChI=1S/C11H24N2O/c1-9-6-10(9)7-13(2)8-11(12)4-5-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyYAJDVLLIKAKUKK-UHFFFAOYSA-N
MW200.33 g/mol
LogP0.94
Rot. Bonds7

About 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine

4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine (PubChem CID 63859672) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine.

Molecular Properties

Compound Name4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
PubChem CID63859672
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine
SMILESCOCCC(N)CN(C)CC1CC1C
InChIInChI=1S/C11H24N2O/c1-9-6-10(9)7-13(2)8-11(12)4-5-14-3/h9-11H,4-8,12H2,1-3H3
InChIKeyYAJDVLLIKAKUKK-UHFFFAOYSA-N
XLogP0.94
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-1-N-methyl-1-N-[(1-methylpiperidin-4-yl)methyl]butane-1,2-diamine
CID 63234503
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-5-methoxy-1-N-methylpentane-1,2-diamine
CID 81101889
1-N-butan-2-yl-4-methoxy-1-N-methylbutane-1,2-diamine
CID 62475612
1-N-(2-ethoxyethyl)-4-methoxy-1-N-methylbutane-1,2-diamine
CID 81056203
4-methoxy-1-N-methyl-1-N-(2-pyrrolidin-1-ylethyl)butane-1,2-diamine
CID 63208714
N,2-dimethyl-N-[(2-methylcyclopropyl)methyl]pentane-1,5-diamine
CID 104682229
2-methoxy-N'-methyl-N'-[(2-methylcyclopropyl)methyl]butane-1,4-diamine
CID 103152563
1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]hexane-1,5-diamine
CID 63880126
4-methoxy-1-N-methyl-1-N-[(3-methylphenyl)methyl]butane-1,2-diamine
CID 55080874
5-methoxy-4-N-methyl-4-N-[(2-methylcyclopropyl)methyl]pentane-1,4-diamine
CID 103391921
3-methoxy-1-N-methyl-1-N-[(5-methyloxolan-2-yl)methyl]propane-1,2-diamine
CID 103140103
4-methoxy-1-N,1-N-bis(2-methylpropyl)butane-1,2-diamine
CID 62475448

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
The IUPAC name of 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine (CID 63859672) is 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine.
What is the SMILES notation for 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
The canonical SMILES for 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine is COCCC(N)CN(C)CC1CC1C.
What is the InChIKey of 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
The InChIKey is YAJDVLLIKAKUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9-6-10(9)7-13(2)8-11(12)4-5-14-3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine?
4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-N-methyl-1-N-[(2-methylcyclopropyl)methyl]butane-1,2-diamine is sourced from PubChem (CID 63859672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).