2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine

C10H22N2O — CID 103152753

IUPAC2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine
SMILESCOC(CN)CCNC1(C)CCC1
InChIInChI=1S/C10H22N2O/c1-10(5-3-6-10)12-7-4-9(8-11)13-2/h9,12H,3-8,11H2,1-2H3
InChIKeyVVMRFQVAWUPYNE-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.88
Rot. Bonds6

About 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine

2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine (PubChem CID 103152753) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine.

Molecular Properties

Compound Name2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine
PubChem CID103152753
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine
SMILESCOC(CN)CCNC1(C)CCC1
InChIInChI=1S/C10H22N2O/c1-10(5-3-6-10)12-7-4-9(8-11)13-2/h9,12H,3-8,11H2,1-2H3
InChIKeyVVMRFQVAWUPYNE-UHFFFAOYSA-N
XLogP0.88
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methoxy-N-(1-methylcyclobutyl)butanamide
CID 103156687
2,5-dimethoxyhexane-1,6-diamine
CID 141495487
2-methoxy-N'-[(1-methylcyclopentyl)methyl]propane-1,3-diamine
CID 106114849
2-methoxy-N'-(oxan-2-ylmethyl)butane-1,4-diamine
CID 103152391
2-methoxy-N'-[(1-methylcyclopropyl)methyl]propane-1,3-diamine
CID 106115135
N'-(3-cyclopropylpropyl)-2-methoxybutane-1,4-diamine
CID 103152779
N-(2-methoxyethyl)-N'-(1-methylcyclopentyl)ethane-1,2-diamine
CID 79290465
2-methoxy-4-phosphanylbutan-1-amine
CID 87619461
N-[3-(2-methoxyethoxy)propyl]-1-methylcyclobutan-1-amine
CID 103409682
N'-(1-methylcyclopentyl)-3-propan-2-ylhexane-1,6-diamine
CID 64687049
N'-(2-ethylhexyl)-2-methoxybutane-1,4-diamine
CID 107815808
N'-(1-methylcyclohexyl)-2-propan-2-ylpropane-1,3-diamine
CID 65233135

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine?
The IUPAC name of 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine (CID 103152753) is 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine.
What is the SMILES notation for 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine?
The canonical SMILES for 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine is COC(CN)CCNC1(C)CCC1.
What is the InChIKey of 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine?
The InChIKey is VVMRFQVAWUPYNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-10(5-3-6-10)12-7-4-9(8-11)13-2/h9,12H,3-8,11H2,1-2H3.
What are the key properties of 2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine?
2-methoxy-N'-(1-methylcyclobutyl)butane-1,4-diamine has a molecular weight of 186.30 g/mol, XLogP of 0.88, 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-methylcyclobutyl)butane-1,4-diamine is sourced from PubChem (CID 103152753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).