4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide

C19H30N6O — CID 146475817

IUPAC4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide
SMILESNN/N=C(\N)c1ccc(CN2CCC3(CC2)CC(NC2CC2)CO3)cc1
InChIInChI=1S/C19H30N6O/c20-18(23-24-21)15-3-1-14(2-4-15)12-25-9-7-19(8-10-25)11-17(13-26-19)22-16-5-6-16/h1-4,16-17,22,24H,5-13,21H2,(H2,20,23)
InChIKeyNFAUTJAQXLRTMP-UHFFFAOYSA-N
MW358.49 g/mol
LogP0.65
Rot. Bonds6

About 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide

4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide (PubChem CID 146475817) has the molecular formula C19H30N6O and a molecular weight of 358.49 g/mol. Its IUPAC name is 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide.

Molecular Properties

Compound Name4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide
PubChem CID146475817
Molecular FormulaC19H30N6O
Molecular Weight358.49 g/mol
Exact Mass358.25
IUPAC Name4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide
SMILESNN/N=C(\N)c1ccc(CN2CCC3(CC2)CC(NC2CC2)CO3)cc1
InChIInChI=1S/C19H30N6O/c20-18(23-24-21)15-3-1-14(2-4-15)12-25-9-7-19(8-10-25)11-17(13-26-19)22-16-5-6-16/h1-4,16-17,22,24H,5-13,21H2,(H2,20,23)
InChIKeyNFAUTJAQXLRTMP-UHFFFAOYSA-N
XLogP0.65
TPSA100.93 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 50.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

6-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]naphthalene-2-carboxylic acid
CID 146475853
4-[[3-[[(2S)-2-phenylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]benzamide
CID 163704417
N-cyclopropyl-8-[(2-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 146475898
8-[(4-fluorophenyl)methyl]-N-[(1R,2R)-2-methylcyclopropyl]-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 166654998
N-[(3R)-1-oxaspiro[4.4]nonan-3-yl]-4-(piperidin-1-ylmethyl)benzamide
CID 97209452
N'-hydroxy-4-[(4-hydroxy-4-methylpiperidin-1-yl)methyl]benzenecarboximidamide
CID 81115655
8-[[4-(dimethylamino)phenyl]methyl]-N-pyrimidin-2-yl-1-oxa-8-azaspiro[4.5]decan-3-amine
CID 131657932
5-[[3-[[(1R,2R)-2-ethylcyclopropyl]amino]-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]pyridine-2-carboxylic acid
CID 166655194
4-(piperidin-1-ylmethyl)-N'-(2,2,2-trifluoroethylamino)benzenecarboximidamide
CID 165134897
N-[(3S)-8-[(4-methylphenyl)methyl]-1-oxa-8-azaspiro[4.5]decan-3-yl]pyridine-2-carboxamide
CID 97487879
N-[(4S)-9-[(4-cyanophenyl)methyl]-1-oxa-9-azaspiro[5.5]undecan-4-yl]cyclopropanecarboxamide
CID 98897002
7-[(4-fluorophenyl)methyl]-N-(5-fluoropyrimidin-2-yl)-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131645238

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide?
The IUPAC name of 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide (CID 146475817) is 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide.
What is the SMILES notation for 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide?
The canonical SMILES for 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide is NN/N=C(\N)c1ccc(CN2CCC3(CC2)CC(NC2CC2)CO3)cc1.
What is the InChIKey of 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide?
The InChIKey is NFAUTJAQXLRTMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N6O/c20-18(23-24-21)15-3-1-14(2-4-15)12-25-9-7-19(8-10-25)11-17(13-26-19)22-16-5-6-16/h1-4,16-17,22,24H,5-13,21H2,(H2,20,23).
What are the key properties of 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide?
4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide has a molecular weight of 358.49 g/mol, XLogP of 0.65, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(cyclopropylamino)-1-oxa-8-azaspiro[4.5]decan-8-yl]methyl]-N'-hydrazinylbenzenecarboximidamide is sourced from PubChem (CID 146475817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).