1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide

C18H38N4O2 — CID 141081453

IUPAC1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide
SMILESCC(O)/N=C(\N)CCCCCCCCCCCC/C(N)=N\C(C)O
InChIInChI=1S/C18H38N4O2/c1-15(23)21-17(19)13-11-9-7-5-3-4-6-8-10-12-14-18(20)22-16(2)24/h15-16,23-24H,3-14H2,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyQKEASFNNLFAKNF-UHFFFAOYSA-N
MW342.53 g/mol
LogP3.06
Rot. Bonds15

About 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide

1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide (PubChem CID 141081453) has the molecular formula C18H38N4O2 and a molecular weight of 342.53 g/mol. Its IUPAC name is 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide.

Molecular Properties

Compound Name1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide
PubChem CID141081453
Molecular FormulaC18H38N4O2
Molecular Weight342.53 g/mol
Exact Mass342.30
IUPAC Name1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide
SMILESCC(O)/N=C(\N)CCCCCCCCCCCC/C(N)=N\C(C)O
InChIInChI=1S/C18H38N4O2/c1-15(23)21-17(19)13-11-9-7-5-3-4-6-8-10-12-14-18(20)22-16(2)24/h15-16,23-24H,3-14H2,1-2H3,(H2,19,21)(H2,20,22)
InChIKeyQKEASFNNLFAKNF-UHFFFAOYSA-N
XLogP3.06
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.53
LogP ≤ 53.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-N',10-N'-diaminodecanediimidamide
CID 6003047
1-N',14-N'-diethyltetradecanediimidamide
CID 45484696
4-(9-amino-9-propan-2-yliminononoxy)-N'-propan-2-ylbenzenecarboximidamide;dihydrochloride
CID 155558192
4-methyl-N'-propan-2-ylpentanimidamide
CID 63181653
N'-aminononanimidamide
CID 4100069
octadecanamide;bis(propan-2-ol)
CID 90014672
hexanediamide;propane-1,2-diol
CID 175159738
9,9-difluoro-N'-hydroxynonanimidamide
CID 156800054
3-[2-[bis[2-[(3-amino-3-propan-2-yliminopropyl)amino]ethyl]amino]ethylamino]-N'-propan-2-ylpropanimidamide
CID 165128044
9-methyl-8-oxodecanamide
CID 168891746
21-methyldotetracontanediamide
CID 87333254
N'-hydroxy-4-[3-hydroxypropyl(propan-2-yl)amino]butanimidamide
CID 76911093

Frequently Asked Questions

What is the IUPAC name of 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide?
The IUPAC name of 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide (CID 141081453) is 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide.
What is the SMILES notation for 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide?
The canonical SMILES for 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide is CC(O)/N=C(\N)CCCCCCCCCCCC/C(N)=N\C(C)O.
What is the InChIKey of 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide?
The InChIKey is QKEASFNNLFAKNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H38N4O2/c1-15(23)21-17(19)13-11-9-7-5-3-4-6-8-10-12-14-18(20)22-16(2)24/h15-16,23-24H,3-14H2,1-2H3,(H2,19,21)(H2,20,22).
What are the key properties of 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide?
1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide has a molecular weight of 342.53 g/mol, XLogP of 3.06, 15 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N',14-N'-bis(1-hydroxyethyl)tetradecanediimidamide is sourced from PubChem (CID 141081453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).