N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide

C18H40N4O2 — CID 123287149

IUPACN'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide
SMILESNC=NC(N)CCCCCCCCCCCCCCCC(O)NO
InChIInChI=1S/C18H40N4O2/c19-16-21-17(20)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18(23)22-24/h16-18,22-24H,1-15,20H2,(H2,19,21)
InChIKeyGVWHRFMIIXEYLE-UHFFFAOYSA-N
MW344.54 g/mol
LogP3.41
Rot. Bonds18

About N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide

N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide (PubChem CID 123287149) has the molecular formula C18H40N4O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide.

Molecular Properties

Compound NameN'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide
PubChem CID123287149
Molecular FormulaC18H40N4O2
Molecular Weight344.54 g/mol
Exact Mass344.32
IUPAC NameN'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide
SMILESNC=NC(N)CCCCCCCCCCCCCCCC(O)NO
InChIInChI=1S/C18H40N4O2/c19-16-21-17(20)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18(23)22-24/h16-18,22-24H,1-15,20H2,(H2,19,21)
InChIKeyGVWHRFMIIXEYLE-UHFFFAOYSA-N
XLogP3.41
TPSA116.89 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds18
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.54
LogP ≤ 53.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

17-(hydroxyamino)heptadecane-1,1,17-triol
CID 123788893
1-(hydroxyamino)-16-[1-(2-methylpentylidene)aziridin-1-ium-2-yl]hexadecan-1-ol
CID 91378737
1-(1-aminobutylamino)heptan-1-ol
CID 142734448
1,24-diaminotetracosane-2,23-diol
CID 175286632
1,6-diaminohexan-1-ol
CID 57008257
dodecane-1,1,12,12-tetramine
CID 57282204
octane-1,1,8,8-tetrol
CID 88519685
1-(octylamino)dodecan-1-ol
CID 88518081
1-(ethylamino)tetradecan-1-ol
CID 88518024
1-(pentylamino)dodecan-1-ol
CID 88518034
3-aminoicosan-2-ol
CID 19964089
1-(hexadecylamino)docosan-1-ol
CID 88518088

Frequently Asked Questions

What is the IUPAC name of N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide?
The IUPAC name of N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide (CID 123287149) is N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide.
What is the SMILES notation for N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide?
The canonical SMILES for N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide is NC=NC(N)CCCCCCCCCCCCCCCC(O)NO.
What is the InChIKey of N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide?
The InChIKey is GVWHRFMIIXEYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H40N4O2/c19-16-21-17(20)14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-18(23)22-24/h16-18,22-24H,1-15,20H2,(H2,19,21).
What are the key properties of N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide?
N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide has a molecular weight of 344.54 g/mol, XLogP of 3.41, 18 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[1-amino-17-hydroxy-17-(hydroxyamino)heptadecyl]methanimidamide is sourced from PubChem (CID 123287149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).