1-(dodecylamino)ethane-1,1-diol

C14H31NO2 — CID 23198053

IUPAC1-(dodecylamino)ethane-1,1-diol
SMILESCCCCCCCCCCCCNC(C)(O)O
InChIInChI=1S/C14H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(2,16)17/h15-17H,3-13H2,1-2H3
InChIKeyMJIPCBHHGIGRAL-UHFFFAOYSA-N
MW245.41 g/mol
LogP3.16
Rot. Bonds12

About 1-(dodecylamino)ethane-1,1-diol

1-(dodecylamino)ethane-1,1-diol (PubChem CID 23198053) has the molecular formula C14H31NO2 and a molecular weight of 245.41 g/mol. Its IUPAC name is 1-(dodecylamino)ethane-1,1-diol.

Molecular Properties

Compound Name1-(dodecylamino)ethane-1,1-diol
PubChem CID23198053
Molecular FormulaC14H31NO2
Molecular Weight245.41 g/mol
Exact Mass245.24
IUPAC Name1-(dodecylamino)ethane-1,1-diol
SMILESCCCCCCCCCCCCNC(C)(O)O
InChIInChI=1S/C14H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(2,16)17/h15-17H,3-13H2,1-2H3
InChIKeyMJIPCBHHGIGRAL-UHFFFAOYSA-N
XLogP3.16
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

1,1-bis(octylamino)ethanol
CID 87347011
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CID 106189952
N-tert-butylnonadecan-1-amine
CID 87846739
N-tert-butyltetradecan-1-amine;hydrochloride
CID 173037604
N-(2-methylbutan-2-yl)hexadecan-1-amine
CID 20511004
1-(octylamino)ethane-1,1,2-triol
CID 87504785
N-(1-chloro-2-methylpropan-2-yl)hexan-1-amine
CID 65026682
N-(2,4,4-trimethylpentan-2-yl)nonan-1-amine
CID 4618605
N-heptyl-5-methylnonan-5-amine
CID 126560493
2-(hexylamino)-2-methylbutan-1-ol
CID 64550569
2-methyl-2-(nonylamino)propanoic acid
CID 65263943
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477

Frequently Asked Questions

What is the IUPAC name of 1-(dodecylamino)ethane-1,1-diol?
The IUPAC name of 1-(dodecylamino)ethane-1,1-diol (CID 23198053) is 1-(dodecylamino)ethane-1,1-diol.
What is the SMILES notation for 1-(dodecylamino)ethane-1,1-diol?
The canonical SMILES for 1-(dodecylamino)ethane-1,1-diol is CCCCCCCCCCCCNC(C)(O)O.
What is the InChIKey of 1-(dodecylamino)ethane-1,1-diol?
The InChIKey is MJIPCBHHGIGRAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31NO2/c1-3-4-5-6-7-8-9-10-11-12-13-15-14(2,16)17/h15-17H,3-13H2,1-2H3.
What are the key properties of 1-(dodecylamino)ethane-1,1-diol?
1-(dodecylamino)ethane-1,1-diol has a molecular weight of 245.41 g/mol, XLogP of 3.16, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dodecylamino)ethane-1,1-diol is sourced from PubChem (CID 23198053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).