(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid

C11H22N2O2 — CID 70316009

IUPAC(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid
SMILESCC1(C)CC(N)CC(C)(CNC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-10(2)4-8(12)5-11(3,6-10)7-13-9(14)15/h8,13H,4-7,12H2,1-3H3,(H,14,15)
InChIKeySMTCKTILRVDHGN-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.80
Rot. Bonds2

About (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid

(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid (PubChem CID 70316009) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid.

Molecular Properties

Compound Name(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid
PubChem CID70316009
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Name(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid
SMILESCC1(C)CC(N)CC(C)(CNC(=O)O)C1
InChIInChI=1S/C11H22N2O2/c1-10(2)4-8(12)5-11(3,6-10)7-13-9(14)15/h8,13H,4-7,12H2,1-3H3,(H,14,15)
InChIKeySMTCKTILRVDHGN-UHFFFAOYSA-N
XLogP1.80
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

Methyl (3-{[(methoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate
CID 3246761
Ethyl (3-{[(ethoxycarbonyl)amino]methyl}-3,5,5-trimethylcyclohexyl)carbamate
CID 2931362
fluoromethyl N-[3,3,5-trimethyl-5-(methylamino)cyclohexyl]carbamate
CID 57553316
fluoromethyl N-(3-ethyl-3,5,5-trimethylcyclohexyl)carbamate
CID 57902244
methyl N-[3-[(fluoromethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 57902256
fluoromethyl N-[3-(isocyanatomethyl)-3-methylcyclohexyl]carbamate
CID 58362319
methyl N-[[5-(fluoromethoxycarbonylamino)-1,3,3-trimethylcyclohexyl]methyl]carbamate
CID 59012925
fluoromethyl N-[(5-isocyanato-1,3,3-trimethylcyclohexyl)methyl]carbamate
CID 59736320
fluoromethyl N-[(5-isocyanato-3,3-dimethylcyclohexyl)methyl]carbamate
CID 59736321
fluoromethyl N-[3-[(fluoromethoxycarbonylamino)methyl]-3,5,5-trimethylcyclohexyl]carbamate
CID 59736322
fluoromethyl N-[3-(isocyanatomethyl)-3,5,5-trimethylcyclohexyl]carbamate
CID 59736328
fluoromethyl N-[3-(aminomethyl)-3,5,5-trimethylcyclohexyl]carbamate
CID 59736329

Frequently Asked Questions

What is the IUPAC name of (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
The IUPAC name of (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid (CID 70316009) is (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid.
What is the SMILES notation for (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
The canonical SMILES for (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid is CC1(C)CC(N)CC(C)(CNC(=O)O)C1.
What is the InChIKey of (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
The InChIKey is SMTCKTILRVDHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-10(2)4-8(12)5-11(3,6-10)7-13-9(14)15/h8,13H,4-7,12H2,1-3H3,(H,14,15).
What are the key properties of (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid?
(5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid has a molecular weight of 214.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-1,3,3-trimethylcyclohexyl)methylcarbamic acid is sourced from PubChem (CID 70316009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).