2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine

C11H24N2O — CID 63725583

IUPAC2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
SMILESCCC(CN)N(C)CC1CCCOC1
InChIInChI=1S/C11H24N2O/c1-3-11(7-12)13(2)8-10-5-4-6-14-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeySQTYREFNNUZXJE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.08
Rot. Bonds5

About 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine

2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine (PubChem CID 63725583) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
PubChem CID63725583
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
SMILESCCC(CN)N(C)CC1CCCOC1
InChIInChI=1S/C11H24N2O/c1-3-11(7-12)13(2)8-10-5-4-6-14-9-10/h10-11H,3-9,12H2,1-2H3
InChIKeySQTYREFNNUZXJE-UHFFFAOYSA-N
XLogP1.08
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N,4,4-trimethyl-2-N-(oxan-3-ylmethyl)pentane-1,2-diamine
CID 63725413
2-N-(cyclopentylmethyl)-2-N-methylbutane-1,2-diamine
CID 63632440
2-N-(cyclohexylmethyl)-2-N-methylbutane-1,2-diamine
CID 61444608
N'-hydroxy-3-[methyl(oxan-3-ylmethyl)amino]pentanimidamide
CID 55225847
2-N,3,3-trimethyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725899
1-cyclopentyl-N-methyl-N-(oxan-3-ylmethyl)ethane-1,2-diamine
CID 55227963
4-amino-N-cyclopropyl-3-[methyl(oxan-3-ylmethyl)amino]butanamide
CID 66432240
4-amino-3-[methyl(oxan-3-ylmethyl)amino]-1-pyrrolidin-1-ylbutan-1-one
CID 66432936
N,N-dimethyl-1-[(3R)-oxan-3-yl]methanamine
CID 175701227
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
1-N-methyl-1-(4-methylphenyl)-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63727618
N-methyl-N-(oxan-3-ylmethyl)hydroxylamine
CID 82594564

Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine (CID 63725583) is 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine is CCC(CN)N(C)CC1CCCOC1.
What is the InChIKey of 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The InChIKey is SQTYREFNNUZXJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-3-11(7-12)13(2)8-10-5-4-6-14-9-10/h10-11H,3-9,12H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine?
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 63725583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).