1,1-bis(octylamino)ethanol

C18H40N2O — CID 87347011

IUPAC1,1-bis(octylamino)ethanol
SMILESCCCCCCCCNC(C)(O)NCCCCCCCC
InChIInChI=1S/C18H40N2O/c1-4-6-8-10-12-14-16-19-18(3,21)20-17-15-13-11-9-7-5-2/h19-21H,4-17H2,1-3H3
InChIKeyXWGOBUNHPOULAR-UHFFFAOYSA-N
MW300.53 g/mol
LogP4.55
Rot. Bonds16

About 1,1-bis(octylamino)ethanol

1,1-bis(octylamino)ethanol (PubChem CID 87347011) has the molecular formula C18H40N2O and a molecular weight of 300.53 g/mol. Its IUPAC name is 1,1-bis(octylamino)ethanol.

Molecular Properties

Compound Name1,1-bis(octylamino)ethanol
PubChem CID87347011
Molecular FormulaC18H40N2O
Molecular Weight300.53 g/mol
Exact Mass300.31
IUPAC Name1,1-bis(octylamino)ethanol
SMILESCCCCCCCCNC(C)(O)NCCCCCCCC
InChIInChI=1S/C18H40N2O/c1-4-6-8-10-12-14-16-19-18(3,21)20-17-15-13-11-9-7-5-2/h19-21H,4-17H2,1-3H3
InChIKeyXWGOBUNHPOULAR-UHFFFAOYSA-N
XLogP4.55
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds16
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.53
LogP ≤ 54.55
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-(dodecylamino)ethane-1,1-diol
CID 23198053
2,3-dimethyl-3-(nonylamino)butan-2-ol
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 1,1-bis(octylamino)ethanol?
The IUPAC name of 1,1-bis(octylamino)ethanol (CID 87347011) is 1,1-bis(octylamino)ethanol.
What is the SMILES notation for 1,1-bis(octylamino)ethanol?
The canonical SMILES for 1,1-bis(octylamino)ethanol is CCCCCCCCNC(C)(O)NCCCCCCCC.
What is the InChIKey of 1,1-bis(octylamino)ethanol?
The InChIKey is XWGOBUNHPOULAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N2O/c1-4-6-8-10-12-14-16-19-18(3,21)20-17-15-13-11-9-7-5-2/h19-21H,4-17H2,1-3H3.
What are the key properties of 1,1-bis(octylamino)ethanol?
1,1-bis(octylamino)ethanol has a molecular weight of 300.53 g/mol, XLogP of 4.55, 16 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-bis(octylamino)ethanol is sourced from PubChem (CID 87347011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).