tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride

C12H25ClN2O2 — CID 2756044

IUPACtert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(CN)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10;/h9-10H,4-8,13H2,1-3H3,(H,14,15);1H
InChIKeyVVIUAQDJHBEGEE-UHFFFAOYSA-N
MW264.80 g/mol
LogP2.45
Rot. Bonds2

About tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride

tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride (PubChem CID 2756044) has the molecular formula C12H25ClN2O2 and a molecular weight of 264.80 g/mol. Its IUPAC name is tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride
PubChem CID2756044
Molecular FormulaC12H25ClN2O2
Molecular Weight264.80 g/mol
Exact Mass264.16
IUPAC Nametert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(CN)CC1.Cl
InChIInChI=1S/C12H24N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10;/h9-10H,4-8,13H2,1-3H3,(H,14,15);1H
InChIKeyVVIUAQDJHBEGEE-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride?
The IUPAC name of tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride (CID 2756044) is tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCC(CN)CC1.Cl.
What is the InChIKey of tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride?
The InChIKey is VVIUAQDJHBEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O2.ClH/c1-12(2,3)16-11(15)14-10-6-4-9(8-13)5-7-10;/h9-10H,4-8,13H2,1-3H3,(H,14,15);1H.
What are the key properties of tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride?
tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride has a molecular weight of 264.80 g/mol, XLogP of 2.45, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(aminomethyl)cyclohexyl]carbamate;hydrochloride is sourced from PubChem (CID 2756044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).