2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine

C12H26N2O — CID 62861289

IUPAC2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
SMILESCOCCC(C)(CN)N(C)CC1CCC1
InChIInChI=1S/C12H26N2O/c1-12(10-13,7-8-15-3)14(2)9-11-5-4-6-11/h11H,4-10,13H2,1-3H3
InChIKeyOQFZMKFOHLFMTH-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.47
Rot. Bonds7

About 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine

2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine (PubChem CID 62861289) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine.

Molecular Properties

Compound Name2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
PubChem CID62861289
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine
SMILESCOCCC(C)(CN)N(C)CC1CCC1
InChIInChI=1S/C12H26N2O/c1-12(10-13,7-8-15-3)14(2)9-11-5-4-6-11/h11H,4-10,13H2,1-3H3
InChIKeyOQFZMKFOHLFMTH-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(cyclopentylmethyl)-2-N,2-dimethylbutane-1,2-diamine
CID 62009371
2-N-(cyclobutylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62860403
2-N-(cyclobutylmethyl)-3-(4-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831363
2-N-(cyclopentylmethyl)-3,3-dimethoxy-2-N,2-dimethylpropane-1,2-diamine
CID 66179062
2-N-(cyclobutylmethyl)-2-ethyl-2-N-methylbutane-1,2-diamine
CID 62860217
2-N,2,5-trimethyl-2-N-(oxan-3-ylmethyl)hexane-1,2-diamine
CID 63725070
2-N,2,5-trimethyl-2-N-[(1-methylpiperidin-4-yl)methyl]hexane-1,2-diamine
CID 63233337
3-cyclobutyl-2-N-(2-methoxyethyl)-2-methyl-2-N-(2-methylpropyl)propane-1,2-diamine
CID 113489993
2-N-(cyclopentylmethyl)-3-(3-fluorophenyl)-2-N,2-dimethylpropane-1,2-diamine
CID 114831415
2-N-(cyclopropylmethyl)-2-N,2-dimethyl-3-phenylpropane-1,2-diamine
CID 114993617
2-N-(cyclohexylmethyl)-2-N-methyl-2-propylpentane-1,2-diamine
CID 63472711
3-methoxy-2-N,2-dimethyl-2-N-(3-methylcyclohexyl)propane-1,2-diamine
CID 62535497

Frequently Asked Questions

What is the IUPAC name of 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The IUPAC name of 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine (CID 62861289) is 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine.
What is the SMILES notation for 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The canonical SMILES for 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine is COCCC(C)(CN)N(C)CC1CCC1.
What is the InChIKey of 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
The InChIKey is OQFZMKFOHLFMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-12(10-13,7-8-15-3)14(2)9-11-5-4-6-11/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine?
2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine has a molecular weight of 214.35 g/mol, XLogP of 1.47, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(cyclobutylmethyl)-4-methoxy-2-N,2-dimethylbutane-1,2-diamine is sourced from PubChem (CID 62861289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).