1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea

C14H19N3O — CID 91942630

IUPAC1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea
SMILESCNC(=O)NN=C(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19N3O/c1-10(16-17-14(18)15-2)12-8-7-11-5-3-4-6-13(11)9-12/h7-9H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyYXPVJWKCMVBQLC-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.22
Rot. Bonds2

About 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea

1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea (PubChem CID 91942630) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea.

Molecular Properties

Compound Name1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea
PubChem CID91942630
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea
SMILESCNC(=O)NN=C(C)c1ccc2c(c1)CCCC2
InChIInChI=1S/C14H19N3O/c1-10(16-17-14(18)15-2)12-8-7-11-5-3-4-6-13(11)9-12/h7-9H,3-6H2,1-2H3,(H2,15,17,18)
InChIKeyYXPVJWKCMVBQLC-UHFFFAOYSA-N
XLogP2.22
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-dichloro-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 6184678
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]pyridine-3-carboxamide
CID 5139408
4-propoxy-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]benzamide
CID 133169944
3-phenyl-N-[(Z)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-1H-pyrazole-5-carboxamide
CID 7326946
ethane;1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone
CID 123573357
trans-(1R,2R)-2-(4-tert-butylphenyl)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]cyclopropane-1-carboxamide
CID 129440316
N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]-2-[4-(2,4,4-trimethylpentan-2-yl)phenoxy]acetamide
CID 3548730
N-[(E)-1-(4-hydroxyphenyl)ethylideneamino]-2-(5,6,7,8-tetrahydronaphthalen-2-yloxy)acetamide
CID 136627448
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
2-[[2-(3-methylphenoxy)acetyl]amino]-N-[(E)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 46496046
2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]guanidine;hydrochloride
CID 160531205
N-[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl]acetamide
CID 82113869

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea?
The IUPAC name of 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea (CID 91942630) is 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea.
What is the SMILES notation for 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea?
The canonical SMILES for 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea is CNC(=O)NN=C(C)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea?
The InChIKey is YXPVJWKCMVBQLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-10(16-17-14(18)15-2)12-8-7-11-5-3-4-6-13(11)9-12/h7-9H,3-6H2,1-2H3,(H2,15,17,18).
What are the key properties of 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea?
1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea has a molecular weight of 245.33 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]urea is sourced from PubChem (CID 91942630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).