N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide

C14H17N3O — CID 77028895

IUPACN'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide
SMILESNC(CCNCc1cccc2ccccc12)=NO
InChIInChI=1S/C14H17N3O/c15-14(17-18)8-9-16-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,16,18H,8-10H2,(H2,15,17)
InChIKeyZFAFRYAZDQBZHX-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.07
Rot. Bonds5

About N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide

N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide (PubChem CID 77028895) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide
PubChem CID77028895
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide
SMILESNC(CCNCc1cccc2ccccc12)=NO
InChIInChI=1S/C14H17N3O/c15-14(17-18)8-9-16-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,16,18H,8-10H2,(H2,15,17)
InChIKeyZFAFRYAZDQBZHX-UHFFFAOYSA-N
XLogP2.07
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.07
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,N'-bis[2-(naphthalen-1-ylmethylamino)ethyl]ethane-1,2-diamine
CID 11766966
3-methyl-N-(naphthalen-1-ylmethyl)but-3-en-1-amine
CID 114472242
N'-(naphthalen-1-ylmethyl)-N-[[4-[[2-(naphthalen-1-ylmethylamino)ethylamino]methyl]phenyl]methyl]ethane-1,2-diamine
CID 102025774
N'-hydroxy-4-[(2-methylphenyl)methylamino]butanimidamide
CID 77029228
N'-[4-(naphthalen-1-ylmethylamino)butyl]butane-1,4-diamine
CID 11255033
N'-hydroxy-3-(2-quinolin-8-ylethylamino)propanimidamide
CID 81426159
N-(naphthalen-1-ylmethyl)ethanamine;hydrochloride
CID 17290740
CID 59694789
CID 59694789
3-(naphthalen-1-ylmethylamino)propanenitrile
CID 28728133
N-methyl-N'-(naphthalen-1-ylmethyl)propane-1,3-diamine
CID 4720020
N'-hydroxy-3-[naphthalen-1-ylmethyl(propan-2-yl)amino]propanimidamide
CID 76911368
5-(naphthalen-1-ylmethylamino)pentan-2-ol
CID 107267647

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide?
The IUPAC name of N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide (CID 77028895) is N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide.
What is the SMILES notation for N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide?
The canonical SMILES for N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide is NC(CCNCc1cccc2ccccc12)=NO.
What is the InChIKey of N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide?
The InChIKey is ZFAFRYAZDQBZHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14(17-18)8-9-16-10-12-6-3-5-11-4-1-2-7-13(11)12/h1-7,16,18H,8-10H2,(H2,15,17).
What are the key properties of N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide?
N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide has a molecular weight of 243.31 g/mol, XLogP of 2.07, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-(naphthalen-1-ylmethylamino)propanimidamide is sourced from PubChem (CID 77028895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).