4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane

C20H36N2 — CID 162493112

IUPAC4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
SMILESCCC(C)N1CC2C3CCC(C2C1)C1CN(C(C)CC)CC31
InChIInChI=1S/C20H36N2/c1-5-13(3)21-9-17-15-7-8-16(18(17)10-21)20-12-22(11-19(15)20)14(4)6-2/h13-20H,5-12H2,1-4H3
InChIKeyBONOPBBTDRWZRJ-UHFFFAOYSA-N
MW304.52 g/mol
LogP3.72
Rot. Bonds4

About 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane

4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane (PubChem CID 162493112) has the molecular formula C20H36N2 and a molecular weight of 304.52 g/mol. Its IUPAC name is 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane.

Molecular Properties

Compound Name4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
PubChem CID162493112
Molecular FormulaC20H36N2
Molecular Weight304.52 g/mol
Exact Mass304.29
IUPAC Name4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane
SMILESCCC(C)N1CC2C3CCC(C2C1)C1CN(C(C)CC)CC31
InChIInChI=1S/C20H36N2/c1-5-13(3)21-9-17-15-7-8-16(18(17)10-21)20-12-22(11-19(15)20)14(4)6-2/h13-20H,5-12H2,1-4H3
InChIKeyBONOPBBTDRWZRJ-UHFFFAOYSA-N
XLogP3.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.52
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
The IUPAC name of 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane (CID 162493112) is 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane.
What is the SMILES notation for 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
The canonical SMILES for 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane is CCC(C)N1CC2C3CCC(C2C1)C1CN(C(C)CC)CC31.
What is the InChIKey of 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
The InChIKey is BONOPBBTDRWZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N2/c1-5-13(3)21-9-17-15-7-8-16(18(17)10-21)20-12-22(11-19(15)20)14(4)6-2/h13-20H,5-12H2,1-4H3.
What are the key properties of 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane?
4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane has a molecular weight of 304.52 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,10-di(butan-2-yl)-4,10-diazatetracyclo[5.5.2.02,6.08,12]tetradecane is sourced from PubChem (CID 162493112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).