1-decyl-N'-hydroxypyrrolidine-2-carboximidamide

C15H31N3O — CID 77036162

IUPAC1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCCCCCCCCCCN1CCCC1C(N)=NO
InChIInChI=1S/C15H31N3O/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-14(18)15(16)17-19/h14,19H,2-13H2,1H3,(H2,16,17)
InChIKeyNAYYKLMPCIRQLX-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.34
Rot. Bonds10

About 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide

1-decyl-N'-hydroxypyrrolidine-2-carboximidamide (PubChem CID 77036162) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide.

Molecular Properties

Compound Name1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
PubChem CID77036162
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-decyl-N'-hydroxypyrrolidine-2-carboximidamide
SMILESCCCCCCCCCCN1CCCC1C(N)=NO
InChIInChI=1S/C15H31N3O/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-14(18)15(16)17-19/h14,19H,2-13H2,1H3,(H2,16,17)
InChIKeyNAYYKLMPCIRQLX-UHFFFAOYSA-N
XLogP3.34
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-fluoropropyl)-N'-hydroxypyrrolidine-2-carboximidamide
CID 81106607
1-nonylpyrrolidine-2-carboxylic acid
CID 43441741
1-butylpyrrolidine-2-carboxamide
CID 19388617
CID 172742310
CID 172742310
N'-hydroxy-1-(4,4,4-trifluorobutyl)pyrrolidine-2-carboximidamide
CID 115514096
1-pentylpyrrolidine-2-carboxylic acid;sulfane
CID 174808239
acetic acid;(2S)-1-butylpyrrolidine-2-carboxamide
CID 174327126
(1-dodecylpyrrolidin-2-yl)methanol
CID 63468146
[(2R)-1-heptylpyrrolidin-2-yl]methanol
CID 64982587
[(2S)-1-decylpyrrolidin-2-yl]methanol
CID 79003239
(1-nonylpyrrolidin-2-yl)methanamine
CID 19780174
2-ethyl-1-undecylpyrrolidine
CID 171569857

Frequently Asked Questions

What is the IUPAC name of 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide?
The IUPAC name of 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide (CID 77036162) is 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide.
What is the SMILES notation for 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide?
The canonical SMILES for 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide is CCCCCCCCCCN1CCCC1C(N)=NO.
What is the InChIKey of 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide?
The InChIKey is NAYYKLMPCIRQLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-2-3-4-5-6-7-8-9-12-18-13-10-11-14(18)15(16)17-19/h14,19H,2-13H2,1H3,(H2,16,17).
What are the key properties of 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide?
1-decyl-N'-hydroxypyrrolidine-2-carboximidamide has a molecular weight of 269.43 g/mol, XLogP of 3.34, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-decyl-N'-hydroxypyrrolidine-2-carboximidamide is sourced from PubChem (CID 77036162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).