(5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate

C16H31NO2 — CID 91714475

IUPAC(5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate
SMILESCC(C)CCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H31NO2/c1-11(2)8-9-17-16(18)19-15-10-13(5)6-7-14(15)12(3)4/h11-15H,6-10H2,1-5H3,(H,17,18)
InChIKeySCCXAJFKABEXQB-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.22
Rot. Bonds5

About (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate

(5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate (PubChem CID 91714475) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate.

Molecular Properties

Compound Name(5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate
PubChem CID91714475
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name(5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate
SMILESCC(C)CCNC(=O)OC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H31NO2/c1-11(2)8-9-17-16(18)19-15-10-13(5)6-7-14(15)12(3)4/h11-15H,6-10H2,1-5H3,(H,17,18)
InChIKeySCCXAJFKABEXQB-UHFFFAOYSA-N
XLogP4.22
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate?
The IUPAC name of (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate (CID 91714475) is (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate.
What is the SMILES notation for (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate?
The canonical SMILES for (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate is CC(C)CCNC(=O)OC1CC(C)CCC1C(C)C.
What is the InChIKey of (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate?
The InChIKey is SCCXAJFKABEXQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-11(2)8-9-17-16(18)19-15-10-13(5)6-7-14(15)12(3)4/h11-15H,6-10H2,1-5H3,(H,17,18).
What are the key properties of (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate?
(5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate has a molecular weight of 269.43 g/mol, XLogP of 4.22, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-2-propan-2-ylcyclohexyl) N-(3-methylbutyl)carbamate is sourced from PubChem (CID 91714475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).