3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine

C11H24N2O — CID 130574119

IUPAC3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
SMILESCC(N)C(C)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-8(12)9(2)13-10-5-6-14-11(3,4)7-10/h8-10,13H,5-7,12H2,1-4H3
InChIKeyILDXZWAHXIIEOE-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.27
Rot. Bonds3

About 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine

3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine (PubChem CID 130574119) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine.

Molecular Properties

Compound Name3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
PubChem CID130574119
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine
SMILESCC(N)C(C)NC1CCOC(C)(C)C1
InChIInChI=1S/C11H24N2O/c1-8(12)9(2)13-10-5-6-14-11(3,4)7-10/h8-10,13H,5-7,12H2,1-4H3
InChIKeyILDXZWAHXIIEOE-UHFFFAOYSA-N
XLogP1.27
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3,3-dimethylbutan-2-yl)-2,2-dimethyloxan-4-amine
CID 115896330
2-[(2,2-dimethyloxan-4-yl)amino]-3-methylbutan-1-ol
CID 79254749
(4S)-2,2-dimethyl-N-[(1S)-1-phenylethyl]oxan-4-amine
CID 756075
3-[(2,2-dimethyloxan-4-yl)amino]butanoic acid
CID 83032728
2,2-dimethyl-N-[1-(2,4,6-trimethylphenyl)ethyl]oxan-4-amine
CID 83033464
N-[1-(3,5-difluorophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033287
N-[1-(4-iodophenyl)ethyl]-2,2-dimethyloxan-4-amine
CID 83032780
5-[1-[(2,2-dimethyloxan-4-yl)amino]ethyl]benzene-1,3-diol
CID 107707073
N-[(1R)-1-(furan-2-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 81403572
methyl 3-[(2,2-dimethyloxan-4-yl)amino]butanoate
CID 83032645
1-amino-3-(2,2-dimethyloxan-4-yl)thiourea
CID 83029394
N-[1-(furan-3-yl)ethyl]-2,2-dimethyloxan-4-amine
CID 83033874

Frequently Asked Questions

What is the IUPAC name of 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine?
The IUPAC name of 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine (CID 130574119) is 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine.
What is the SMILES notation for 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine?
The canonical SMILES for 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine is CC(N)C(C)NC1CCOC(C)(C)C1.
What is the InChIKey of 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine?
The InChIKey is ILDXZWAHXIIEOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-8(12)9(2)13-10-5-6-14-11(3,4)7-10/h8-10,13H,5-7,12H2,1-4H3.
What are the key properties of 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine?
3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine has a molecular weight of 200.33 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-dimethyloxan-4-yl)butane-2,3-diamine is sourced from PubChem (CID 130574119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).