13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine

C15H21N5 — CID 163680897

IUPAC13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine
SMILESCCCCc1nc2c(N)nc3c4c2n1CCN4CCC3
InChIInChI=1S/C15H21N5/c1-2-3-6-11-18-12-14-13-10(17-15(12)16)5-4-7-19(13)8-9-20(11)14/h2-9H2,1H3,(H2,16,17)
InChIKeyJKSYVANWYNKQJH-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.12
Rot. Bonds3

About 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine

13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine (PubChem CID 163680897) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine.

Molecular Properties

Compound Name13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine
PubChem CID163680897
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine
SMILESCCCCc1nc2c(N)nc3c4c2n1CCN4CCC3
InChIInChI=1S/C15H21N5/c1-2-3-6-11-18-12-14-13-10(17-15(12)16)5-4-7-19(13)8-9-20(11)14/h2-9H2,1H3,(H2,16,17)
InChIKeyJKSYVANWYNKQJH-UHFFFAOYSA-N
XLogP2.12
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine?
The IUPAC name of 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine (CID 163680897) is 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine.
What is the SMILES notation for 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine?
The canonical SMILES for 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine is CCCCc1nc2c(N)nc3c4c2n1CCN4CCC3.
What is the InChIKey of 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine?
The InChIKey is JKSYVANWYNKQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-2-3-6-11-18-12-14-13-10(17-15(12)16)5-4-7-19(13)8-9-20(11)14/h2-9H2,1H3,(H2,16,17).
What are the key properties of 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine?
13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine has a molecular weight of 271.37 g/mol, XLogP of 2.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 13-butyl-1,4,9,12-tetrazatetracyclo[6.5.2.04,15.011,14]pentadeca-8(15),9,11(14),12-tetraen-10-amine is sourced from PubChem (CID 163680897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).