carbamic acid;1-methyl-4-propan-2-ylcyclohexane

C11H23NO2 — CID 67059714

IUPACcarbamic acid;1-methyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)CC1.NC(=O)O
InChIInChI=1S/C10H20.CH3NO2/c1-8(2)10-6-4-9(3)5-7-10;2-1(3)4/h8-10H,4-7H2,1-3H3;2H2,(H,3,4)
InChIKeyLDCHNODRWFERQX-UHFFFAOYSA-N
MW201.31 g/mol
LogP3.09
Rot. Bonds1

About carbamic acid;1-methyl-4-propan-2-ylcyclohexane

carbamic acid;1-methyl-4-propan-2-ylcyclohexane (PubChem CID 67059714) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is carbamic acid;1-methyl-4-propan-2-ylcyclohexane.

Molecular Properties

Compound Namecarbamic acid;1-methyl-4-propan-2-ylcyclohexane
PubChem CID67059714
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Namecarbamic acid;1-methyl-4-propan-2-ylcyclohexane
SMILESCC1CCC(C(C)C)CC1.NC(=O)O
InChIInChI=1S/C10H20.CH3NO2/c1-8(2)10-6-4-9(3)5-7-10;2-1(3)4/h8-10H,4-7H2,1-3H3;2H2,(H,3,4)
InChIKeyLDCHNODRWFERQX-UHFFFAOYSA-N
XLogP3.09
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-methylcyclohexyl)propanamide
CID 175989942
methane;1-methyl-4-propan-2-ylcyclohexane
CID 178082994
carbamic acid;methylcyclopropane;hydrochloride
CID 175193332
(2R)-2-(4-methylcyclohexyl)propanoic acid
CID 96631531
(2S)-2-amino-2-(4-methylcyclohexyl)acetic acid
CID 57462435
isocyanic acid;1-methyl-4-propan-2-ylcyclohexane
CID 88721765
formohydrazide;1-methyl-4-propan-2-ylcyclohexane
CID 175318505
N-cyclopropylacetamide;1-methyl-4-propan-2-ylcyclohexane
CID 90040795
cis-(1S,4R)-1-methyl-4-propan-2-ylcycloheptane
CID 58254317
methyl 2-(4-methylcyclohexyl)propanoate
CID 22035514
methyl 2-amino-2-(4-methylcyclohexyl)acetate
CID 64747912
2-fluoro-2-(4-methylcycloheptyl)acetic acid
CID 81358281

Frequently Asked Questions

What is the IUPAC name of carbamic acid;1-methyl-4-propan-2-ylcyclohexane?
The IUPAC name of carbamic acid;1-methyl-4-propan-2-ylcyclohexane (CID 67059714) is carbamic acid;1-methyl-4-propan-2-ylcyclohexane.
What is the SMILES notation for carbamic acid;1-methyl-4-propan-2-ylcyclohexane?
The canonical SMILES for carbamic acid;1-methyl-4-propan-2-ylcyclohexane is CC1CCC(C(C)C)CC1.NC(=O)O.
What is the InChIKey of carbamic acid;1-methyl-4-propan-2-ylcyclohexane?
The InChIKey is LDCHNODRWFERQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20.CH3NO2/c1-8(2)10-6-4-9(3)5-7-10;2-1(3)4/h8-10H,4-7H2,1-3H3;2H2,(H,3,4).
What are the key properties of carbamic acid;1-methyl-4-propan-2-ylcyclohexane?
carbamic acid;1-methyl-4-propan-2-ylcyclohexane has a molecular weight of 201.31 g/mol, XLogP of 3.09, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;1-methyl-4-propan-2-ylcyclohexane is sourced from PubChem (CID 67059714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).