3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane

C15H20N2 — CID 70208180

IUPAC3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C1NC(=C)C2CC1C(=C)N(CC1CC1)C2=C
InChIInChI=1S/C15H20N2/c1-9-14-7-15(10(2)16-9)12(4)17(11(14)3)8-13-5-6-13/h13-16H,1-8H2
InChIKeyXAYLCSKSJPZAGN-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.99
Rot. Bonds2

About 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane

3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane (PubChem CID 70208180) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
PubChem CID70208180
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane
SMILESC=C1NC(=C)C2CC1C(=C)N(CC1CC1)C2=C
InChIInChI=1S/C15H20N2/c1-9-14-7-15(10(2)16-9)12(4)17(11(14)3)8-13-5-6-13/h13-16H,1-8H2
InChIKeyXAYLCSKSJPZAGN-UHFFFAOYSA-N
XLogP2.99
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
The IUPAC name of 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane (CID 70208180) is 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
The canonical SMILES for 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane is C=C1NC(=C)C2CC1C(=C)N(CC1CC1)C2=C.
What is the InChIKey of 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
The InChIKey is XAYLCSKSJPZAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-9-14-7-15(10(2)16-9)12(4)17(11(14)3)8-13-5-6-13/h13-16H,1-8H2.
What are the key properties of 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane?
3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane has a molecular weight of 228.34 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2,4,6,8-tetramethylidene-3,7-diazabicyclo[3.3.1]nonane is sourced from PubChem (CID 70208180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).