N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine

C14H26N2O — CID 64863720

IUPACN'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1C2CCOC2C1(C)C)C1CC1
InChIInChI=1S/C14H26N2O/c1-14(2)12(11-6-9-17-13(11)14)15-7-8-16(3)10-4-5-10/h10-13,15H,4-9H2,1-3H3
InChIKeySVLYLETWBRNVDS-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.48
Rot. Bonds5

About N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine

N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine (PubChem CID 64863720) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine
PubChem CID64863720
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine
SMILESCN(CCNC1C2CCOC2C1(C)C)C1CC1
InChIInChI=1S/C14H26N2O/c1-14(2)12(11-6-9-17-13(11)14)15-7-8-16(3)10-4-5-10/h10-13,15H,4-9H2,1-3H3
InChIKeySVLYLETWBRNVDS-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine (CID 64863720) is N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine is CN(CCNC1C2CCOC2C1(C)C)C1CC1.
What is the InChIKey of N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine?
The InChIKey is SVLYLETWBRNVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-14(2)12(11-6-9-17-13(11)14)15-7-8-16(3)10-4-5-10/h10-13,15H,4-9H2,1-3H3.
What are the key properties of N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine?
N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine has a molecular weight of 238.37 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-N'-methylethane-1,2-diamine is sourced from PubChem (CID 64863720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).