(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid

C12H24N2O2 — CID 66642887

IUPAC(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C)CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)14(10(15)16)12(4)7-5-9(13)6-8-12/h9H,5-8,13H2,1-4H3,(H,15,16)
InChIKeyCNFRUIVMPSOKBL-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.42
Rot. Bonds1

About (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid

(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid (PubChem CID 66642887) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid.

Molecular Properties

Compound Name(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid
PubChem CID66642887
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Name(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid
SMILESCC(C)(C)N(C(=O)O)C1(C)CCC(N)CC1
InChIInChI=1S/C12H24N2O2/c1-11(2,3)14(10(15)16)12(4)7-5-9(13)6-8-12/h9H,5-8,13H2,1-4H3,(H,15,16)
InChIKeyCNFRUIVMPSOKBL-UHFFFAOYSA-N
XLogP2.42
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-tert-butyl-N-(4-hydroxy-1-methylcyclohexyl)carbamate
CID 57369876
(4-amino-1-bicyclo[2.2.1]heptanyl)-tert-butylcarbamic acid
CID 155059785
trans-(1R,3S)-3-amino-1-methylcyclopentane-1-carboxylic acid
CID 66932920
3-amino-1-methylcyclopentane-1-carboxylic acid
CID 67230266
[4-(aminomethyl)-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 162367822
[(2S)-4-amino-2-hydroxy-1-bicyclo[2.2.2]octanyl]-tert-butylcarbamic acid
CID 155092848
carbonic acid;cyclopropanamine
CID 70000861
cyclopropanamine;bis(2,2,2-trifluoroacetic acid)
CID 162300046
cis-(1R,3R)-3-amino-1-(trifluoromethyl)cyclopentane-1-carboxylic acid
CID 124633428
(3-aminocyclopentyl)-tert-butylcarbamic acid
CID 67110665
tert-butyl-(3-hydroxy-5,7-dimethyl-1-adamantyl)carbamic acid
CID 57465640
[(1S,3R)-3-aminocyclopentyl]-tert-butylcarbamic acid
CID 130475601

Frequently Asked Questions

What is the IUPAC name of (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid?
The IUPAC name of (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid (CID 66642887) is (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid.
What is the SMILES notation for (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid?
The canonical SMILES for (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid is CC(C)(C)N(C(=O)O)C1(C)CCC(N)CC1.
What is the InChIKey of (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid?
The InChIKey is CNFRUIVMPSOKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-11(2,3)14(10(15)16)12(4)7-5-9(13)6-8-12/h9H,5-8,13H2,1-4H3,(H,15,16).
What are the key properties of (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid?
(4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid has a molecular weight of 228.34 g/mol, XLogP of 2.42, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1-methylcyclohexyl)-tert-butylcarbamic acid is sourced from PubChem (CID 66642887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).