1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine

C15H30N2O — CID 64865044

IUPAC1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNC1C2CCOC2C1(C)C)N(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)12(17(5)6)9-16-13-11-7-8-18-14(11)15(13,3)4/h10-14,16H,7-9H2,1-6H3
InChIKeyRNHMTPWXHPPLNC-UHFFFAOYSA-N
MW254.42 g/mol
LogP1.98
Rot. Bonds5

About 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine

1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine (PubChem CID 64865044) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine.

Molecular Properties

Compound Name1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
PubChem CID64865044
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine
SMILESCC(C)C(CNC1C2CCOC2C1(C)C)N(C)C
InChIInChI=1S/C15H30N2O/c1-10(2)12(17(5)6)9-16-13-11-7-8-18-14(11)15(13,3)4/h10-14,16H,7-9H2,1-6H3
InChIKeyRNHMTPWXHPPLNC-UHFFFAOYSA-N
XLogP1.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The IUPAC name of 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine (CID 64865044) is 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine.
What is the SMILES notation for 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The canonical SMILES for 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine is CC(C)C(CNC1C2CCOC2C1(C)C)N(C)C.
What is the InChIKey of 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
The InChIKey is RNHMTPWXHPPLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-10(2)12(17(5)6)9-16-13-11-7-8-18-14(11)15(13,3)4/h10-14,16H,7-9H2,1-6H3.
What are the key properties of 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine?
1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine has a molecular weight of 254.42 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-2-N,2-N,3-trimethylbutane-1,2-diamine is sourced from PubChem (CID 64865044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).