(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate

C14H27NO3 — CID 10923190

IUPAC(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC1(O)CCCCC1)C(C)C
InChIInChI=1S/C14H27NO3/c1-11(2)15(12(3)4)13(16)18-10-14(17)8-6-5-7-9-14/h11-12,17H,5-10H2,1-4H3
InChIKeyQDAZLZVOKZGQOO-UHFFFAOYSA-N
MW257.37 g/mol
LogP2.94
Rot. Bonds4

About (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate

(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate (PubChem CID 10923190) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate
PubChem CID10923190
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Name(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)OCC1(O)CCCCC1)C(C)C
InChIInChI=1S/C14H27NO3/c1-11(2)15(12(3)4)13(16)18-10-14(17)8-6-5-7-9-14/h11-12,17H,5-10H2,1-4H3
InChIKeyQDAZLZVOKZGQOO-UHFFFAOYSA-N
XLogP2.94
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxycyclohexyl)-N-[2-[methyl(propan-2-yl)amino]ethyl]acetamide
CID 111464650
(1-hydroxycyclopropyl)methyl propan-2-yl carbonate
CID 141497433
(1-hydroxycyclohexyl)methyl methanesulfonate
CID 90762555
N-[1-(dimethylamino)-4-methylpentan-2-yl]-2-(1-hydroxycyclohexyl)acetamide
CID 111331994
1-(methoxymethyl)cyclohexan-1-ol
CID 12552140
(2R)-2-[[2-(1-hydroxycyclohexyl)acetyl]amino]-N-methylpropanamide
CID 111825842
(1-aminocyclohexyl)methyl N,N-diethylcarbamate
CID 79338374
(2R)-2-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 104985327
pyridin-1-ium-1-ylmethyl N,N-di(propan-2-yl)carbamate
CID 70818234
1-[(dimethylamino)methyl]cycloheptan-1-ol
CID 104550048
ethyl 3-[(1-hydroxycycloheptyl)methylamino]butanoate
CID 65122002
methyl 3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanoate
CID 65213091

Frequently Asked Questions

What is the IUPAC name of (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate?
The IUPAC name of (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate (CID 10923190) is (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate?
The canonical SMILES for (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)OCC1(O)CCCCC1)C(C)C.
What is the InChIKey of (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate?
The InChIKey is QDAZLZVOKZGQOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-11(2)15(12(3)4)13(16)18-10-14(17)8-6-5-7-9-14/h11-12,17H,5-10H2,1-4H3.
What are the key properties of (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate?
(1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate has a molecular weight of 257.37 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-hydroxycyclohexyl)methyl N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10923190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).