(2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol

C13H30N4O — CID 146584190

IUPAC(2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol
SMILESCC1CNCCN(C)CCNCCCCN1CO
InChIInChI=1S/C13H30N4O/c1-13-11-15-7-10-16(2)9-6-14-5-3-4-8-17(13)12-18/h13-15,18H,3-12H2,1-2H3
InChIKeyHASUXIZUZVEYJO-UHFFFAOYSA-N
MW258.41 g/mol
LogP-0.47
Rot. Bonds1

About (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol

(2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol (PubChem CID 146584190) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol.

Molecular Properties

Compound Name(2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol
PubChem CID146584190
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name(2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol
SMILESCC1CNCCN(C)CCNCCCCN1CO
InChIInChI=1S/C13H30N4O/c1-13-11-15-7-10-16(2)9-6-14-5-3-4-8-17(13)12-18/h13-15,18H,3-12H2,1-2H3
InChIKeyHASUXIZUZVEYJO-UHFFFAOYSA-N
XLogP-0.47
TPSA50.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 5-0.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol?
The IUPAC name of (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol (CID 146584190) is (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol.
What is the SMILES notation for (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol?
The canonical SMILES for (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol is CC1CNCCN(C)CCNCCCCN1CO.
What is the InChIKey of (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol?
The InChIKey is HASUXIZUZVEYJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-13-11-15-7-10-16(2)9-6-14-5-3-4-8-17(13)12-18/h13-15,18H,3-12H2,1-2H3.
What are the key properties of (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol?
(2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol has a molecular weight of 258.41 g/mol, XLogP of -0.47, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,7-dimethyl-1,4,7,10-tetrazacyclotetradec-1-yl)methanol is sourced from PubChem (CID 146584190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).