2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate

C14H30N2O4 — CID 135203827

IUPAC2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCO.NCC1CCCCC1O
InChIInChI=1S/C7H15NO3.C7H15NO/c1-7(2,3)11-6(10)8-4-5-9;8-5-6-3-1-2-4-7(6)9/h9H,4-5H2,1-3H3,(H,8,10);6-7,9H,1-5,8H2
InChIKeyQCWMACRQVVTOAL-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.00
Rot. Bonds3

About 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate

2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate (PubChem CID 135203827) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate.

Molecular Properties

Compound Name2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate
PubChem CID135203827
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Name2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate
SMILESCC(C)(C)OC(=O)NCCO.NCC1CCCCC1O
InChIInChI=1S/C7H15NO3.C7H15NO/c1-7(2,3)11-6(10)8-4-5-9;8-5-6-3-1-2-4-7(6)9/h9H,4-5H2,1-3H3,(H,8,10);6-7,9H,1-5,8H2
InChIKeyQCWMACRQVVTOAL-UHFFFAOYSA-N
XLogP1.00
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[[2-[(2-hydroxycyclopentyl)methylamino]cyclohexyl]methyl]carbamate
CID 103695845
tert-butyl N-(2-hydroxyethyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 161081619
tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
2-hydroxyethyl [2-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]cycloheptyl] carbonate
CID 123999633
tert-butyl formate;tert-butyl N-(2-hydroxyethyl)carbamate;ethane;methylcyclohexane
CID 142090732
tert-butyl N-[2-[(2-methylcyclohexyl)methylamino]ethyl]carbamate
CID 112688812
tert-butyl N-[2-(cyclododecylamino)ethyl]carbamate
CID 107241352
tert-butyl N-[2-[acetyl(cycloheptyl)amino]ethyl]carbamate
CID 113056745
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl cycloheptanecarboxylate
CID 68733385
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[2-[[(1R,2R)-2-hydroxycyclobutyl]amino]ethyl]carbamate
CID 130649334
2-hydroxyethyl N-[(2-hydroxycyclohexyl)methyl]carbamate
CID 79349518

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate?
The IUPAC name of 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate (CID 135203827) is 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate.
What is the SMILES notation for 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate?
The canonical SMILES for 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate is CC(C)(C)OC(=O)NCCO.NCC1CCCCC1O.
What is the InChIKey of 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate?
The InChIKey is QCWMACRQVVTOAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3.C7H15NO/c1-7(2,3)11-6(10)8-4-5-9;8-5-6-3-1-2-4-7(6)9/h9H,4-5H2,1-3H3,(H,8,10);6-7,9H,1-5,8H2.
What are the key properties of 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate?
2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)cyclohexan-1-ol;tert-butyl N-(2-hydroxyethyl)carbamate is sourced from PubChem (CID 135203827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).