3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride

C16H36ClNO — CID 175072736

IUPAC3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
SMILESCCCCCCCCCCC(C(C)O)C(C)(C)N.Cl
InChIInChI=1S/C16H35NO.ClH/c1-5-6-7-8-9-10-11-12-13-15(14(2)18)16(3,4)17;/h14-15,18H,5-13,17H2,1-4H3;1H
InChIKeyHMFZQLMPNRFFBV-UHFFFAOYSA-N
MW293.92 g/mol
LogP4.67
Rot. Bonds11

About 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride

3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride (PubChem CID 175072736) has the molecular formula C16H36ClNO and a molecular weight of 293.92 g/mol. Its IUPAC name is 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride.

Molecular Properties

Compound Name3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
PubChem CID175072736
Molecular FormulaC16H36ClNO
Molecular Weight293.92 g/mol
Exact Mass293.25
IUPAC Name3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride
SMILESCCCCCCCCCCC(C(C)O)C(C)(C)N.Cl
InChIInChI=1S/C16H35NO.ClH/c1-5-6-7-8-9-10-11-12-13-15(14(2)18)16(3,4)17;/h14-15,18H,5-13,17H2,1-4H3;1H
InChIKeyHMFZQLMPNRFFBV-UHFFFAOYSA-N
XLogP4.67
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.92
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride 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

3-(2-aminopropan-2-yl)nonan-2-ol
CID 87504447
4-(2-aminopropan-2-yl)-5-chlorodecan-1-ol;hydrochloride
CID 173139694
2,3-dimethylhexadecan-2-amine
CID 87479269
4-(2-aminopropan-2-yl)icosan-2-ol
CID 87495669
5-(2-aminopropan-2-yl)-2,4-dimethylundec-1-en-3-one
CID 21279920
2,3-dimethylnonan-2-amine;hydrofluoride
CID 173042328
methanamine;octadecan-2-ol;hydrochloride
CID 173318083
3-hexyl-2-methylundecan-2-amine
CID 89005835
2-amino-3-methylheptadecan-2-ol
CID 88695872
3-aminoicosan-2-ol
CID 19964089
2-methyldecane-2,3-diamine
CID 87934186
3-methylheptadecane-2,2-diamine
CID 141040528

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride?
The IUPAC name of 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride (CID 175072736) is 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride.
What is the SMILES notation for 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride?
The canonical SMILES for 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride is CCCCCCCCCCC(C(C)O)C(C)(C)N.Cl.
What is the InChIKey of 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride?
The InChIKey is HMFZQLMPNRFFBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO.ClH/c1-5-6-7-8-9-10-11-12-13-15(14(2)18)16(3,4)17;/h14-15,18H,5-13,17H2,1-4H3;1H.
What are the key properties of 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride?
3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride has a molecular weight of 293.92 g/mol, XLogP of 4.67, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminopropan-2-yl)tridecan-2-ol;hydrochloride is sourced from PubChem (CID 175072736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).