[1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea

C14H27N3O — CID 2802915

IUPAC[1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
SMILESCC(CC1(CC(C)C)CCCCC1)=NNC(N)=O
InChIInChI=1S/C14H27N3O/c1-11(2)9-14(7-5-4-6-8-14)10-12(3)16-17-13(15)18/h11H,4-10H2,1-3H3,(H3,15,17,18)
InChIKeyHPSRFUXVCVKRKZ-UHFFFAOYSA-N
MW253.39 g/mol
LogP3.42
Rot. Bonds5

About [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea

[1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea (PubChem CID 2802915) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea.

Molecular Properties

Compound Name[1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
PubChem CID2802915
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name[1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea
SMILESCC(CC1(CC(C)C)CCCCC1)=NNC(N)=O
InChIInChI=1S/C14H27N3O/c1-11(2)9-14(7-5-4-6-8-14)10-12(3)16-17-13(15)18/h11H,4-10H2,1-3H3,(H3,15,17,18)
InChIKeyHPSRFUXVCVKRKZ-UHFFFAOYSA-N
XLogP3.42
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 53.42
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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Frequently Asked Questions

What is the IUPAC name of [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea?
The IUPAC name of [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea (CID 2802915) is [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea.
What is the SMILES notation for [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea?
The canonical SMILES for [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea is CC(CC1(CC(C)C)CCCCC1)=NNC(N)=O.
What is the InChIKey of [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea?
The InChIKey is HPSRFUXVCVKRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-11(2)9-14(7-5-4-6-8-14)10-12(3)16-17-13(15)18/h11H,4-10H2,1-3H3,(H3,15,17,18).
What are the key properties of [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea?
[1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea has a molecular weight of 253.39 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[1-(2-methylpropyl)cyclohexyl]propan-2-ylideneamino]urea is sourced from PubChem (CID 2802915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).