6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride

C10H20ClNO — CID 22416638

IUPAC6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride
SMILESC#CCN(C)CCCCCCO.Cl
InChIInChI=1S/C10H19NO.ClH/c1-3-8-11(2)9-6-4-5-7-10-12;/h1,12H,4-10H2,2H3;1H
InChIKeyBIBRUNXODBQUDI-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.53
Rot. Bonds7

About 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride

6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride (PubChem CID 22416638) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride.

Molecular Properties

Compound Name6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride
PubChem CID22416638
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride
SMILESC#CCN(C)CCCCCCO.Cl
InChIInChI=1S/C10H19NO.ClH/c1-3-8-11(2)9-6-4-5-7-10-12;/h1,12H,4-10H2,2H3;1H
InChIKeyBIBRUNXODBQUDI-UHFFFAOYSA-N
XLogP1.53
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride?
The IUPAC name of 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride (CID 22416638) is 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride.
What is the SMILES notation for 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride?
The canonical SMILES for 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride is C#CCN(C)CCCCCCO.Cl.
What is the InChIKey of 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride?
The InChIKey is BIBRUNXODBQUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-3-8-11(2)9-6-4-5-7-10-12;/h1,12H,4-10H2,2H3;1H.
What are the key properties of 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride?
6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(prop-2-ynyl)amino]hexan-1-ol;hydrochloride is sourced from PubChem (CID 22416638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).