N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide

C16H23N3O — CID 77071115

IUPACN'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNC2CCCc3ccccc32)CC1)=NO
InChIInChI=1S/C16H23N3O/c17-15(19-20)10-16(8-9-16)11-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,18,20H,3,5,7-11H2,(H2,17,19)
InChIKeyWZZQUXUIDFPVLA-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.57
Rot. Bonds5

About N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 77071115) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID77071115
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide
SMILESNC(CC1(CNC2CCCc3ccccc32)CC1)=NO
InChIInChI=1S/C16H23N3O/c17-15(19-20)10-16(8-9-16)11-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,18,20H,3,5,7-11H2,(H2,17,19)
InChIKeyWZZQUXUIDFPVLA-UHFFFAOYSA-N
XLogP2.57
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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-4-(1,2,3,4-tetrahydronaphthalen-1-ylamino)butanimidamide
CID 77028408
N'-hydroxy-2,2-dimethyl-5-(1,2,3,4-tetrahydronaphthalen-1-ylamino)pentanimidamide
CID 77063559
4-[(6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-ylamino)methyl]oxan-4-ol
CID 81131273
N-[(1-methylsulfanylcyclobutyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 107266111
N'-(1,2,3,4-tetrahydronaphthalen-1-yl)ethane-1,2-diamine
CID 60888348
1-[(2,3-dihydro-1H-inden-1-ylamino)methyl]cyclohexan-1-ol
CID 54937894
1,2-bis(1,2,3,4-tetrahydronaphthalen-1-yl)guanidine
CID 18751587
(1R)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-1-amine
CID 97104066
N-[(2-ethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62391908
N-(pyridin-4-ylmethyl)-1,2,3,4-tetrahydronaphthalen-1-amine
CID 3755839
3-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propanoic acid
CID 43087276
N-[(2-methylphenyl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 43079139

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide (CID 77071115) is N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide is NC(CC1(CNC2CCCc3ccccc32)CC1)=NO.
What is the InChIKey of N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is WZZQUXUIDFPVLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c17-15(19-20)10-16(8-9-16)11-18-14-7-3-5-12-4-1-2-6-13(12)14/h1-2,4,6,14,18,20H,3,5,7-11H2,(H2,17,19).
What are the key properties of N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 273.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(1,2,3,4-tetrahydronaphthalen-1-ylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 77071115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).