(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride

C19H39ClN2O4 — CID 159376194

IUPAC(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(CO)CC1.Cl.NC1CCC(CO)CC1
InChIInChI=1S/C12H23NO3.C7H15NO.ClH/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10;8-7-3-1-6(5-9)2-4-7;/h9-10,14H,4-8H2,1-3H3,(H,13,15);6-7,9H,1-5,8H2;1H
InChIKeyQQSKCCPGAKHELG-UHFFFAOYSA-N
MW394.98 g/mol
LogP2.98
Rot. Bonds3

About (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride

(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride (PubChem CID 159376194) has the molecular formula C19H39ClN2O4 and a molecular weight of 394.98 g/mol. Its IUPAC name is (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride.

Molecular Properties

Compound Name(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
PubChem CID159376194
Molecular FormulaC19H39ClN2O4
Molecular Weight394.98 g/mol
Exact Mass394.26
IUPAC Name(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC(CO)CC1.Cl.NC1CCC(CO)CC1
InChIInChI=1S/C12H23NO3.C7H15NO.ClH/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10;8-7-3-1-6(5-9)2-4-7;/h9-10,14H,4-8H2,1-3H3,(H,13,15);6-7,9H,1-5,8H2;1H
InChIKeyQQSKCCPGAKHELG-UHFFFAOYSA-N
XLogP2.98
TPSA104.81 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.98
LogP ≤ 52.98
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159889394
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;tert-butyl N-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydrate
CID 160778406
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
CID 161291088
4-aminocyclohexan-1-ol;tert-butyl N-(4-hydroxycyclohexyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 160880979
tert-butyl N-[(1R,2S)-2-[[4-(hydroxymethyl)cyclohexyl]carbamoyl]cycloheptyl]carbamate
CID 99629367
tert-butyl N-[(1S,3R)-3-(hydroxymethyl)cyclohexyl]carbamate
CID 83823767
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylic acid;trans-(1R,3R)-3-aminocyclopentane-1-carboxylic acid;hydrochloride
CID 158831950

Frequently Asked Questions

What is the IUPAC name of (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride?
The IUPAC name of (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride (CID 159376194) is (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride.
What is the SMILES notation for (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride?
The canonical SMILES for (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCC(CO)CC1.Cl.NC1CCC(CO)CC1.
What is the InChIKey of (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride?
The InChIKey is QQSKCCPGAKHELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO3.C7H15NO.ClH/c1-12(2,3)16-11(15)13-10-6-4-9(8-14)5-7-10;8-7-3-1-6(5-9)2-4-7;/h9-10,14H,4-8H2,1-3H3,(H,13,15);6-7,9H,1-5,8H2;1H.
What are the key properties of (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride?
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride has a molecular weight of 394.98 g/mol, XLogP of 2.98, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride is sourced from PubChem (CID 159376194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).