1-[decyl(methyl)amino]propan-1-ol;hydrochloride

C14H32ClNO — CID 175358956

IUPAC1-[decyl(methyl)amino]propan-1-ol;hydrochloride
SMILESCCCCCCCCCCN(C)C(O)CC.Cl
InChIInChI=1S/C14H31NO.ClH/c1-4-6-7-8-9-10-11-12-13-15(3)14(16)5-2;/h14,16H,4-13H2,1-3H3;1H
InChIKeyNSLIMEASETVWCE-UHFFFAOYSA-N
MW265.87 g/mol
LogP4.21
Rot. Bonds11

About 1-[decyl(methyl)amino]propan-1-ol;hydrochloride

1-[decyl(methyl)amino]propan-1-ol;hydrochloride (PubChem CID 175358956) has the molecular formula C14H32ClNO and a molecular weight of 265.87 g/mol. Its IUPAC name is 1-[decyl(methyl)amino]propan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-[decyl(methyl)amino]propan-1-ol;hydrochloride
PubChem CID175358956
Molecular FormulaC14H32ClNO
Molecular Weight265.87 g/mol
Exact Mass265.22
IUPAC Name1-[decyl(methyl)amino]propan-1-ol;hydrochloride
SMILESCCCCCCCCCCN(C)C(O)CC.Cl
InChIInChI=1S/C14H31NO.ClH/c1-4-6-7-8-9-10-11-12-13-15(3)14(16)5-2;/h14,16H,4-13H2,1-3H3;1H
InChIKeyNSLIMEASETVWCE-UHFFFAOYSA-N
XLogP4.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[methyl(pentyl)amino]propan-1-ol
CID 87216398
1-(dioctadecylamino)propan-1-ol;hydrochloride
CID 173142418
1-[methyl(propyl)amino]propan-1-ol
CID 118973060
1-[dodecyl(methyl)amino]propane-1,2-diol
CID 129203951
1-[di(nonadecyl)amino]propan-1-ol
CID 87359207
N-methyl-N-propan-2-yltridecan-1-amine
CID 88970420
ethane;N-methyl-N-propan-2-yldodecan-1-amine
CID 142585410
1-[dodecyl(methyl)amino]ethyl-trimethylazanium
CID 141440762
1-[2-hydroxypropyl(octadecyl)amino]propan-2-ol;hydrochloride
CID 175112776
N-dodecyl-N-methyltridecan-2-amine
CID 87784054
N-hexadecyl-N-methylhexadecan-1-amine;hydrochloride
CID 71350597
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341

Frequently Asked Questions

What is the IUPAC name of 1-[decyl(methyl)amino]propan-1-ol;hydrochloride?
The IUPAC name of 1-[decyl(methyl)amino]propan-1-ol;hydrochloride (CID 175358956) is 1-[decyl(methyl)amino]propan-1-ol;hydrochloride.
What is the SMILES notation for 1-[decyl(methyl)amino]propan-1-ol;hydrochloride?
The canonical SMILES for 1-[decyl(methyl)amino]propan-1-ol;hydrochloride is CCCCCCCCCCN(C)C(O)CC.Cl.
What is the InChIKey of 1-[decyl(methyl)amino]propan-1-ol;hydrochloride?
The InChIKey is NSLIMEASETVWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO.ClH/c1-4-6-7-8-9-10-11-12-13-15(3)14(16)5-2;/h14,16H,4-13H2,1-3H3;1H.
What are the key properties of 1-[decyl(methyl)amino]propan-1-ol;hydrochloride?
1-[decyl(methyl)amino]propan-1-ol;hydrochloride has a molecular weight of 265.87 g/mol, XLogP of 4.21, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[decyl(methyl)amino]propan-1-ol;hydrochloride is sourced from PubChem (CID 175358956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).