1,1-dibutylcyclohexane;urea

C16H36N4O2 — CID 67179616

IUPAC1,1-dibutylcyclohexane;urea
SMILESCCCCC1(CCCC)CCCCC1.NC(N)=O.NC(N)=O
InChIInChI=1S/C14H28.2CH4N2O/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14;2*2-1(3)4/h3-13H2,1-2H3;2*(H4,2,3,4)
InChIKeyBVDIMYSBMPASAY-UHFFFAOYSA-N
MW316.49 g/mol
LogP3.36
Rot. Bonds6

About 1,1-dibutylcyclohexane;urea

1,1-dibutylcyclohexane;urea (PubChem CID 67179616) has the molecular formula C16H36N4O2 and a molecular weight of 316.49 g/mol. Its IUPAC name is 1,1-dibutylcyclohexane;urea.

Molecular Properties

Compound Name1,1-dibutylcyclohexane;urea
PubChem CID67179616
Molecular FormulaC16H36N4O2
Molecular Weight316.49 g/mol
Exact Mass316.28
IUPAC Name1,1-dibutylcyclohexane;urea
SMILESCCCCC1(CCCC)CCCCC1.NC(N)=O.NC(N)=O
InChIInChI=1S/C14H28.2CH4N2O/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14;2*2-1(3)4/h3-13H2,1-2H3;2*(H4,2,3,4)
InChIKeyBVDIMYSBMPASAY-UHFFFAOYSA-N
XLogP3.36
TPSA138.22 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1-dibutylcyclohexane;urea?
The IUPAC name of 1,1-dibutylcyclohexane;urea (CID 67179616) is 1,1-dibutylcyclohexane;urea.
What is the SMILES notation for 1,1-dibutylcyclohexane;urea?
The canonical SMILES for 1,1-dibutylcyclohexane;urea is CCCCC1(CCCC)CCCCC1.NC(N)=O.NC(N)=O.
What is the InChIKey of 1,1-dibutylcyclohexane;urea?
The InChIKey is BVDIMYSBMPASAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28.2CH4N2O/c1-3-5-10-14(11-6-4-2)12-8-7-9-13-14;2*2-1(3)4/h3-13H2,1-2H3;2*(H4,2,3,4).
What are the key properties of 1,1-dibutylcyclohexane;urea?
1,1-dibutylcyclohexane;urea has a molecular weight of 316.49 g/mol, XLogP of 3.36, 6 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dibutylcyclohexane;urea is sourced from PubChem (CID 67179616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).