(7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol

C15H32N4O — CID 146584209

IUPAC(7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol
SMILESCC1CNCCNC2CCCN(C2)C(CO)CCCN1
InChIInChI=1S/C15H32N4O/c1-13-10-16-7-8-18-14-4-3-9-19(11-14)15(12-20)5-2-6-17-13/h13-18,20H,2-12H2,1H3
InChIKeyMBJAYTFJZLTPAG-UHFFFAOYSA-N
MW284.45 g/mol
LogP-0.24
Rot. Bonds1

About (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol

(7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol (PubChem CID 146584209) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol.

Molecular Properties

Compound Name(7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol
PubChem CID146584209
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name(7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol
SMILESCC1CNCCNC2CCCN(C2)C(CO)CCCN1
InChIInChI=1S/C15H32N4O/c1-13-10-16-7-8-18-14-4-3-9-19(11-14)15(12-20)5-2-6-17-13/h13-18,20H,2-12H2,1H3
InChIKeyMBJAYTFJZLTPAG-UHFFFAOYSA-N
XLogP-0.24
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 5-0.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol?
The IUPAC name of (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol (CID 146584209) is (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol.
What is the SMILES notation for (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol?
The canonical SMILES for (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol is CC1CNCCNC2CCCN(C2)C(CO)CCCN1.
What is the InChIKey of (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol?
The InChIKey is MBJAYTFJZLTPAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-13-10-16-7-8-18-14-4-3-9-19(11-14)15(12-20)5-2-6-17-13/h13-18,20H,2-12H2,1H3.
What are the key properties of (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol?
(7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol has a molecular weight of 284.45 g/mol, XLogP of -0.24, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methyl-1,6,9,12-tetrazabicyclo[11.3.1]heptadecan-2-yl)methanol is sourced from PubChem (CID 146584209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).