2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine

C9H20N2O — CID 106115135

IUPAC2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCOC(CN)CNCC1(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(3-4-9)7-11-6-8(5-10)12-2/h8,11H,3-7,10H2,1-2H3
InChIKeyCHBUOSLXRHMMRS-UHFFFAOYSA-N
MW172.27 g/mol
LogP0.35
Rot. Bonds6

About 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine

2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine (PubChem CID 106115135) has the molecular formula C9H20N2O and a molecular weight of 172.27 g/mol. Its IUPAC name is 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound Name2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine
PubChem CID106115135
Molecular FormulaC9H20N2O
Molecular Weight172.27 g/mol
Exact Mass172.16
IUPAC Name2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine
SMILESCOC(CN)CNCC1(C)CC1
InChIInChI=1S/C9H20N2O/c1-9(3-4-9)7-11-6-8(5-10)12-2/h8,11H,3-7,10H2,1-2H3
InChIKeyCHBUOSLXRHMMRS-UHFFFAOYSA-N
XLogP0.35
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
2-methoxy-N'-(2-methoxypropyl)propane-1,3-diamine
CID 106115064
2-methoxy-N'-methylpropane-1,3-diamine
CID 20763150
2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine
CID 103152753
2-methyl-N-[(1-methylcyclopropyl)methyl]butan-1-amine
CID 103897149
2-methyl-N-[(1-methylcyclobutyl)methyl]propan-1-amine
CID 65196169
2-methoxy-N'-(2,2,3-trimethylbutyl)propane-1,3-diamine
CID 106115133
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246
N'-(2,3-dimethyloxolan-3-yl)-2-methoxypropane-1,3-diamine
CID 106115119
4-amino-3-methoxy-N-(1-methylcyclobutyl)butanamide
CID 103156687
2,2-dimethyl-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 115426986
2,5-dimethoxyhexane-1,6-diamine
CID 141495487

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine?
The IUPAC name of 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine (CID 106115135) is 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine.
What is the SMILES notation for 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine?
The canonical SMILES for 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine is COC(CN)CNCC1(C)CC1.
What is the InChIKey of 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine?
The InChIKey is CHBUOSLXRHMMRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O/c1-9(3-4-9)7-11-6-8(5-10)12-2/h8,11H,3-7,10H2,1-2H3.
What are the key properties of 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine?
2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine has a molecular weight of 172.27 g/mol, XLogP of 0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 106115135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).