propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate

C12H24N2O2 — CID 63765786

IUPACpropan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate
SMILESCC1CCC(CN)(NC(=O)OC(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)16-11(15)14-12(8-13)6-4-10(3)5-7-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyZLPIZNNLKBKZKK-UHFFFAOYSA-N
MW228.34 g/mol
LogP2.03
Rot. Bonds3

About propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate

propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate (PubChem CID 63765786) has the molecular formula C12H24N2O2 and a molecular weight of 228.34 g/mol. Its IUPAC name is propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate
PubChem CID63765786
Molecular FormulaC12H24N2O2
Molecular Weight228.34 g/mol
Exact Mass228.18
IUPAC Namepropan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate
SMILESCC1CCC(CN)(NC(=O)OC(C)C)CC1
InChIInChI=1S/C12H24N2O2/c1-9(2)16-11(15)14-12(8-13)6-4-10(3)5-7-12/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKeyZLPIZNNLKBKZKK-UHFFFAOYSA-N
XLogP2.03
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate?
The IUPAC name of propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate (CID 63765786) is propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate.
What is the SMILES notation for propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate?
The canonical SMILES for propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate is CC1CCC(CN)(NC(=O)OC(C)C)CC1.
What is the InChIKey of propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate?
The InChIKey is ZLPIZNNLKBKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2/c1-9(2)16-11(15)14-12(8-13)6-4-10(3)5-7-12/h9-10H,4-8,13H2,1-3H3,(H,14,15).
What are the key properties of propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate?
propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate has a molecular weight of 228.34 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[1-(aminomethyl)-4-methylcyclohexyl]carbamate is sourced from PubChem (CID 63765786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).