(1S)-1-cuban-1-ylethanamine

C10H13N — CID 146155306

IUPAC(1S)-1-cuban-1-ylethanamine
SMILESC[C@H](N)C12C3C4C5C3C1C5C42
InChIInChI=1S/C10H13N/c1-2(11)10-7-4-3-5(7)9(10)6(3)8(4)10/h2-9H,11H2,1H3/t2-,3?,4?,5?,6?,7?,8?,9?,10?/m0/s1
InChIKeyMQYJZKMHKXEBMS-ZPBCAPGXSA-N
MW147.22 g/mol
LogP0.70
Rot. Bonds1

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

(1S)-1-cuban-1-ylethanamine (PubChem CID 146155306) has the molecular formula C10H13N and a molecular weight of 147.22 g/mol. Its IUPAC name is (1S)-1-cuban-1-ylethanamine.

Molecular Properties

Compound Name(1S)-1-cuban-1-ylethanamine
PubChem CID146155306
Molecular FormulaC10H13N
Molecular Weight147.22 g/mol
Exact Mass147.10
IUPAC Name(1S)-1-cuban-1-ylethanamine
SMILESC[C@H](N)C12C3C4C5C3C1C5C42
InChIInChI=1S/C10H13N/c1-2(11)10-7-4-3-5(7)9(10)6(3)8(4)10/h2-9H,11H2,1H3/t2-,3?,4?,5?,6?,7?,8?,9?,10?/m0/s1
InChIKeyMQYJZKMHKXEBMS-ZPBCAPGXSA-N
XLogP0.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (1S)-1-cuban-1-ylethanamine 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
C-(6-Cyclopropyl-cuban-3-yl)-methylamine
CID 10261574
(1S)-1-(cuban-1-yl)ethan-1-amine hydrochloride
CID 146155305
(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
(8-Fluorocuban-1-yl)methanamine
CID 124286323
4,5-Dimethylbicyclo[2.2.0]hexan-2-amine
CID 163656720
(1S)-1-[(1R,2R,3R,5S)-2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl]ethanamine
CID 127036735
(2-Fluorocuban-1-yl)methanamine
CID 164889507
(4-Methylcuban-1-yl)methanamine
CID 19841756
1-(2,6,6-Trimethyl-3-bicyclo[3.1.1]heptanyl)ethanamine
CID 20065612

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cuban-1-ylethanamine?
The IUPAC name of (1S)-1-cuban-1-ylethanamine (CID 146155306) is (1S)-1-cuban-1-ylethanamine.
What is the SMILES notation for (1S)-1-cuban-1-ylethanamine?
The canonical SMILES for (1S)-1-cuban-1-ylethanamine is C[C@H](N)C12C3C4C5C3C1C5C42.
What is the InChIKey of (1S)-1-cuban-1-ylethanamine?
The InChIKey is MQYJZKMHKXEBMS-ZPBCAPGXSA-N. The full InChI is InChI=1S/C10H13N/c1-2(11)10-7-4-3-5(7)9(10)6(3)8(4)10/h2-9H,11H2,1H3/t2-,3?,4?,5?,6?,7?,8?,9?,10?/m0/s1.
What are the key properties of (1S)-1-cuban-1-ylethanamine?
(1S)-1-cuban-1-ylethanamine has a molecular weight of 147.22 g/mol, XLogP of 0.70, 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 is sourced from PubChem (CID 146155306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).