(1S)-1-cuban-1-ylethanamine;hydrochloride

C10H14ClN — CID 146155305

IUPAC(1S)-1-cuban-1-ylethanamine;hydrochloride
SMILESC[C@H](N)C12C3C4C5C3C1C5C42.Cl
InChIInChI=1S/C10H13N.ClH/c1-2(11)10-7-4-3-5(7)9(10)6(3)8(4)10;/h2-9H,11H2,1H3;1H/t2-,3?,4?,5?,6?,7?,8?,9?,10?;/m0./s1
InChIKeyJTHHGCWXPBJXET-PWERRECCSA-N
MW183.68 g/mol
LogP1.12
Rot. Bonds1

About (1S)-1-cuban-1-ylethanamine;hydrochloride

(1S)-1-cuban-1-ylethanamine;hydrochloride (PubChem CID 146155305) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is (1S)-1-cuban-1-ylethanamine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-cuban-1-ylethanamine;hydrochloride
PubChem CID146155305
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name(1S)-1-cuban-1-ylethanamine;hydrochloride
SMILESC[C@H](N)C12C3C4C5C3C1C5C42.Cl
InChIInChI=1S/C10H13N.ClH/c1-2(11)10-7-4-3-5(7)9(10)6(3)8(4)10;/h2-9H,11H2,1H3;1H/t2-,3?,4?,5?,6?,7?,8?,9?,10?;/m0./s1
InChIKeyJTHHGCWXPBJXET-PWERRECCSA-N
XLogP1.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-cuban-1-ylethanamine;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

Cuban-1-ylmethanamine
CID 276346
(Cuban-1-yl)methanamine hydrochloride
CID 85716070
(1R)-1-(cuban-1-yl)ethan-1-amine hydrochloride
CID 146155581
(2,2,14,16-Tetramethyl-4-tricyclo[13.2.0.03,17]heptadecanyl)methanamine
CID 163659085
(1S)-1-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethanamine;hydrochloride
CID 145949131
[(1S)-1-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethyl]azanium chloride
CID 127037274
(1S)-1-(cuban-1-yl)ethan-1-amine
CID 146155306
(4-Methylcuban-1-yl)methanamine
CID 19841756
(3S)-4-[1-ethyl-2,3-dimethyl-4-[(2,3,4-trimethylcyclobutyl)methyl]cyclobutyl]-3-methylbutan-2-amine
CID 70930890
2-Cyclobutyl-4-methyl-2-propan-2-ylcyclobutan-1-amine
CID 89171424
2-Cuban-1-ylethanamine
CID 89264968
[(1R,6R)-3,6-dimethyl-3-propan-2-yl-2-bicyclo[2.2.0]hexanyl]methanamine
CID 89383572

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cuban-1-ylethanamine;hydrochloride?
The IUPAC name of (1S)-1-cuban-1-ylethanamine;hydrochloride (CID 146155305) is (1S)-1-cuban-1-ylethanamine;hydrochloride.
What is the SMILES notation for (1S)-1-cuban-1-ylethanamine;hydrochloride?
The canonical SMILES for (1S)-1-cuban-1-ylethanamine;hydrochloride is C[C@H](N)C12C3C4C5C3C1C5C42.Cl.
What is the InChIKey of (1S)-1-cuban-1-ylethanamine;hydrochloride?
The InChIKey is JTHHGCWXPBJXET-PWERRECCSA-N. The full InChI is InChI=1S/C10H13N.ClH/c1-2(11)10-7-4-3-5(7)9(10)6(3)8(4)10;/h2-9H,11H2,1H3;1H/t2-,3?,4?,5?,6?,7?,8?,9?,10?;/m0./s1.
What are the key properties of (1S)-1-cuban-1-ylethanamine;hydrochloride?
(1S)-1-cuban-1-ylethanamine;hydrochloride has a molecular weight of 183.68 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cuban-1-ylethanamine;hydrochloride is sourced from PubChem (CID 146155305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).