[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea

C15H24N4O — CID 168532138

IUPAC[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
SMILESCC(C)N(Cc1cccc(C=NNC(N)=O)c1)C(C)C
InChIInChI=1S/C15H24N4O/c1-11(2)19(12(3)4)10-14-7-5-6-13(8-14)9-17-18-15(16)20/h5-9,11-12H,10H2,1-4H3,(H3,16,18,20)
InChIKeyPVHUQOHUMNCPOT-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.31
Rot. Bonds6

About [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea

[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea (PubChem CID 168532138) has the molecular formula C15H24N4O and a molecular weight of 276.38 g/mol. Its IUPAC name is [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea.

Molecular Properties

Compound Name[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
PubChem CID168532138
Molecular FormulaC15H24N4O
Molecular Weight276.38 g/mol
Exact Mass276.20
IUPAC Name[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
SMILESCC(C)N(Cc1cccc(C=NNC(N)=O)c1)C(C)C
InChIInChI=1S/C15H24N4O/c1-11(2)19(12(3)4)10-14-7-5-6-13(8-14)9-17-18-15(16)20/h5-9,11-12H,10H2,1-4H3,(H3,16,18,20)
InChIKeyPVHUQOHUMNCPOT-UHFFFAOYSA-N
XLogP2.31
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[[4-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea
CID 168532139
[[3-(propan-2-yloxymethyl)phenyl]methylideneamino]urea
CID 168532038
[[3-(cyanomethyl)phenyl]methylideneamino]urea
CID 168534094
[[3-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylideneamino]urea
CID 168532117
[[3-(butoxymethyl)phenyl]methylideneamino]urea
CID 168532062
[[3-[1-(dimethylamino)ethyl]phenyl]methylideneamino]urea
CID 168531880
[[3-(cyclohexyloxymethyl)phenyl]methylideneamino]urea
CID 168532047
3-[(carbamoylhydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168533468
[(E)-benzylideneamino]urea
CID 6861419
[(3-propylsulfanylphenyl)methylideneamino]urea
CID 168532022
[[3-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]urea
CID 900224
[[3,4-bis(phenylmethoxy)phenyl]methylideneamino]urea
CID 1267665

Frequently Asked Questions

What is the IUPAC name of [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea?
The IUPAC name of [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea (CID 168532138) is [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea.
What is the SMILES notation for [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea?
The canonical SMILES for [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea is CC(C)N(Cc1cccc(C=NNC(N)=O)c1)C(C)C.
What is the InChIKey of [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea?
The InChIKey is PVHUQOHUMNCPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O/c1-11(2)19(12(3)4)10-14-7-5-6-13(8-14)9-17-18-15(16)20/h5-9,11-12H,10H2,1-4H3,(H3,16,18,20).
What are the key properties of [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea?
[[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea has a molecular weight of 276.38 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [[3-[[di(propan-2-yl)amino]methyl]phenyl]methylideneamino]urea is sourced from PubChem (CID 168532138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).