hexyl N-(1,2,2-trimethylcyclohexyl)carbamate

C16H31NO2 — CID 141284658

IUPAChexyl N-(1,2,2-trimethylcyclohexyl)carbamate
SMILESCCCCCCOC(=O)NC1(C)CCCCC1(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-10-13-19-14(18)17-16(4)12-9-8-11-15(16,2)3/h5-13H2,1-4H3,(H,17,18)
InChIKeyMGGIHPKHAIBXCC-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.65
Rot. Bonds6

About hexyl N-(1,2,2-trimethylcyclohexyl)carbamate

hexyl N-(1,2,2-trimethylcyclohexyl)carbamate (PubChem CID 141284658) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is hexyl N-(1,2,2-trimethylcyclohexyl)carbamate.

Molecular Properties

Compound Namehexyl N-(1,2,2-trimethylcyclohexyl)carbamate
PubChem CID141284658
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Namehexyl N-(1,2,2-trimethylcyclohexyl)carbamate
SMILESCCCCCCOC(=O)NC1(C)CCCCC1(C)C
InChIInChI=1S/C16H31NO2/c1-5-6-7-10-13-19-14(18)17-16(4)12-9-8-11-15(16,2)3/h5-13H2,1-4H3,(H,17,18)
InChIKeyMGGIHPKHAIBXCC-UHFFFAOYSA-N
XLogP4.65
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

nonyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734591
heptyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734431
octyl 1-(hexoxycarbonylamino)cyclopentane-1-carboxylate
CID 91734443
decyl 1-(butoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728459
undecyl 1-(propoxycarbonylamino)cyclopentane-1-carboxylate
CID 91725486
pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722454
pentadecyl 1-(2-chloroethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91730534
dioctyl 1,2-dimethylcyclohexane-1,2-dicarboxylate
CID 175527356
butyl N-(1-formylcyclopentyl)carbamate
CID 87815678
dodecyl 1-(2-methylpropoxycarbonylamino)cyclopentane-1-carboxylate
CID 91728465
tridecyl 1-(2,2-dimethylpropoxycarbonylamino)cyclopentane-1-carboxylate
CID 91732501

Frequently Asked Questions

What is the IUPAC name of hexyl N-(1,2,2-trimethylcyclohexyl)carbamate?
The IUPAC name of hexyl N-(1,2,2-trimethylcyclohexyl)carbamate (CID 141284658) is hexyl N-(1,2,2-trimethylcyclohexyl)carbamate.
What is the SMILES notation for hexyl N-(1,2,2-trimethylcyclohexyl)carbamate?
The canonical SMILES for hexyl N-(1,2,2-trimethylcyclohexyl)carbamate is CCCCCCOC(=O)NC1(C)CCCCC1(C)C.
What is the InChIKey of hexyl N-(1,2,2-trimethylcyclohexyl)carbamate?
The InChIKey is MGGIHPKHAIBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-6-7-10-13-19-14(18)17-16(4)12-9-8-11-15(16,2)3/h5-13H2,1-4H3,(H,17,18).
What are the key properties of hexyl N-(1,2,2-trimethylcyclohexyl)carbamate?
hexyl N-(1,2,2-trimethylcyclohexyl)carbamate has a molecular weight of 269.43 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl N-(1,2,2-trimethylcyclohexyl)carbamate is sourced from PubChem (CID 141284658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).