2-(tetradecylamino)propane-1,1-diol

C17H37NO2 — CID 174762987

IUPAC2-(tetradecylamino)propane-1,1-diol
SMILESCCCCCCCCCCCCCCNC(C)C(O)O
InChIInChI=1S/C17H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17(19)20/h16-20H,3-15H2,1-2H3
InChIKeySYGBRCXYUNAMDF-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.98
Rot. Bonds15

About 2-(tetradecylamino)propane-1,1-diol

2-(tetradecylamino)propane-1,1-diol (PubChem CID 174762987) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-(tetradecylamino)propane-1,1-diol.

Molecular Properties

Compound Name2-(tetradecylamino)propane-1,1-diol
PubChem CID174762987
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name2-(tetradecylamino)propane-1,1-diol
SMILESCCCCCCCCCCCCCCNC(C)C(O)O
InChIInChI=1S/C17H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17(19)20/h16-20H,3-15H2,1-2H3
InChIKeySYGBRCXYUNAMDF-UHFFFAOYSA-N
XLogP3.98
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds15
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.98
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

N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
(2S,3R)-2-(dodecylamino)octadecan-3-ol
CID 139552165
(hexadecylamino)methanediol
CID 139772673
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
N-(3-ethylpentan-2-yl)heptan-1-amine
CID 63843308
N-(1,1-difluoropropan-2-yl)hexan-1-amine
CID 102868054
N-(1,1-difluoropropan-2-yl)octan-1-amine
CID 102869921
1-(hexylamino)propan-1-ol
CID 57070645
N-butan-2-yldodecan-1-amine
CID 63489622
N-butan-2-ylundecan-1-amine
CID 151961423
N-propan-2-ylicosan-1-amine
CID 87246132
1-(pentylamino)dodecan-1-ol
CID 88518034

Frequently Asked Questions

What is the IUPAC name of 2-(tetradecylamino)propane-1,1-diol?
The IUPAC name of 2-(tetradecylamino)propane-1,1-diol (CID 174762987) is 2-(tetradecylamino)propane-1,1-diol.
What is the SMILES notation for 2-(tetradecylamino)propane-1,1-diol?
The canonical SMILES for 2-(tetradecylamino)propane-1,1-diol is CCCCCCCCCCCCCCNC(C)C(O)O.
What is the InChIKey of 2-(tetradecylamino)propane-1,1-diol?
The InChIKey is SYGBRCXYUNAMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16(2)17(19)20/h16-20H,3-15H2,1-2H3.
What are the key properties of 2-(tetradecylamino)propane-1,1-diol?
2-(tetradecylamino)propane-1,1-diol has a molecular weight of 287.49 g/mol, XLogP of 3.98, 15 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tetradecylamino)propane-1,1-diol is sourced from PubChem (CID 174762987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).