N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide

C14H21N3O — CID 77028408

IUPACN'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
SMILESNC(CCCNC1CCCc2ccccc21)=NO
InChIInChI=1S/C14H21N3O/c15-14(17-18)9-4-10-16-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13,16,18H,3-4,6,8-10H2,(H2,15,17)
InChIKeyMZNFZFZVGHHWRF-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.18
Rot. Bonds5

About N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide

N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide (PubChem CID 77028408) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide.

Molecular Properties

Compound NameN'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
PubChem CID77028408
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC NameN'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
SMILESNC(CCCNC1CCCc2ccccc21)=NO
InChIInChI=1S/C14H21N3O/c15-14(17-18)9-4-10-16-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13,16,18H,3-4,6,8-10H2,(H2,15,17)
InChIKeyMZNFZFZVGHHWRF-UHFFFAOYSA-N
XLogP2.18
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.18
H-Bond Donors ≤ 53
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

N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide
CID 77063559
N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide
CID 77071115
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
6-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)hexan-1-ol
CID 103922340
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
ethyl 4-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)butanoate
CID 64577940
N-(4-phenylbutyl)-1,2,3,4-tetrahydronaphthalen-1-amine;dihydrochloride
CID 19773300
N',N'-diethyl-N-(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)propane-1,3-diamine
CID 43095798
2-[4-(2,3-dihydro-1H-inden-1-ylamino)butyl]guanidine;dihydrochloride
CID 19036733
N-(3-ethenoxypropyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43207352
N-(3-methylsulfanylpropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63981040
N-tert-butyl-3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanamide
CID 115605298

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide?
The IUPAC name of N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide (CID 77028408) is N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide.
What is the SMILES notation for N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide?
The canonical SMILES for N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide is NC(CCCNC1CCCc2ccccc21)=NO.
What is the InChIKey of N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide?
The InChIKey is MZNFZFZVGHHWRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c15-14(17-18)9-4-10-16-13-8-3-6-11-5-1-2-7-12(11)13/h1-2,5,7,13,16,18H,3-4,6,8-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide?
N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide has a molecular weight of 247.34 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide is sourced from PubChem (CID 77028408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).