1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol

C15H35N5O — CID 167469531

IUPAC1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol
SMILESCN1CCCN(CC(O)CN)CCN(C)CCCNCC1
InChIInChI=1S/C15H35N5O/c1-18-8-4-9-20(14-15(21)13-16)12-11-19(2)7-3-5-17-6-10-18/h15,17,21H,3-14,16H2,1-2H3
InChIKeyJLOJKODPZMPPJQ-UHFFFAOYSA-N
MW301.48 g/mol
LogP-1.14
Rot. Bonds3

About 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol

1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol (PubChem CID 167469531) has the molecular formula C15H35N5O and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol.

Molecular Properties

Compound Name1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol
PubChem CID167469531
Molecular FormulaC15H35N5O
Molecular Weight301.48 g/mol
Exact Mass301.28
IUPAC Name1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol
SMILESCN1CCCN(CC(O)CN)CCN(C)CCCNCC1
InChIInChI=1S/C15H35N5O/c1-18-8-4-9-20(14-15(21)13-16)12-11-19(2)7-3-5-17-6-10-18/h15,17,21H,3-14,16H2,1-2H3
InChIKeyJLOJKODPZMPPJQ-UHFFFAOYSA-N
XLogP-1.14
TPSA68.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol 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 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol?
The IUPAC name of 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol (CID 167469531) is 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol.
What is the SMILES notation for 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol?
The canonical SMILES for 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol is CN1CCCN(CC(O)CN)CCN(C)CCCNCC1.
What is the InChIKey of 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol?
The InChIKey is JLOJKODPZMPPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N5O/c1-18-8-4-9-20(14-15(21)13-16)12-11-19(2)7-3-5-17-6-10-18/h15,17,21H,3-14,16H2,1-2H3.
What are the key properties of 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol?
1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol has a molecular weight of 301.48 g/mol, XLogP of -1.14, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4,11-dimethyl-1,4,8,11-tetrazacyclotetradec-1-yl)propan-2-ol is sourced from PubChem (CID 167469531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).