1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol

C13H30N4O — CID 175348345

IUPAC1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol
SMILESCCC(O)N1CCCNCCNCCCNCC1
InChIInChI=1S/C13H30N4O/c1-2-13(18)17-11-4-7-15-9-8-14-5-3-6-16-10-12-17/h13-16,18H,2-12H2,1H3
InChIKeyZVFMUKDFBYFXFX-UHFFFAOYSA-N
MW258.41 g/mol
LogP-0.42
Rot. Bonds2

About 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol

1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol (PubChem CID 175348345) has the molecular formula C13H30N4O and a molecular weight of 258.41 g/mol. Its IUPAC name is 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol.

Molecular Properties

Compound Name1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol
PubChem CID175348345
Molecular FormulaC13H30N4O
Molecular Weight258.41 g/mol
Exact Mass258.24
IUPAC Name1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol
SMILESCCC(O)N1CCCNCCNCCCNCC1
InChIInChI=1S/C13H30N4O/c1-2-13(18)17-11-4-7-15-9-8-14-5-3-6-16-10-12-17/h13-16,18H,2-12H2,1H3
InChIKeyZVFMUKDFBYFXFX-UHFFFAOYSA-N
XLogP-0.42
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 5-0.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1-(1,4-diazepan-1-yl)propan-1-ol
CID 70607073
2-(1,4-diazepan-1-yl)butanoic acid
CID 60992815
ethyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319156
methyl 2-(1,4-diazepan-1-yl)-3-methylpentanoate
CID 61319155
2-(1,4-diazepan-1-yl)hexan-1-ol
CID 61352767
1-[(2S)-1-ethylsulfanylpropan-2-yl]-1,4-diazepane
CID 124594878
1-[1-(3,4-dichlorophenyl)propyl]-1,4-diazepane
CID 3802587
1-octan-2-yl-1,4-diazepane
CID 61057071
1-[2-(4-butan-2-ylpiperazin-1-yl)ethyl]-1,4-diazepane
CID 62832597
1-(1-bromopropyl)piperazine
CID 135292234
1-(1-fluoropropyl)piperazine
CID 91569783
(2R)-1-piperazin-1-ylbutan-2-ol;dihydrochloride
CID 178200129

Frequently Asked Questions

What is the IUPAC name of 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol?
The IUPAC name of 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol (CID 175348345) is 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol.
What is the SMILES notation for 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol?
The canonical SMILES for 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol is CCC(O)N1CCCNCCNCCCNCC1.
What is the InChIKey of 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol?
The InChIKey is ZVFMUKDFBYFXFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N4O/c1-2-13(18)17-11-4-7-15-9-8-14-5-3-6-16-10-12-17/h13-16,18H,2-12H2,1H3.
What are the key properties of 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol?
1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol has a molecular weight of 258.41 g/mol, XLogP of -0.42, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,8,11-tetrazacyclotetradec-1-yl)propan-1-ol is sourced from PubChem (CID 175348345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).