(1S)-1-cyclohexylethane-1,2-diamine

C8H18N2 — CID 10877224

IUPAC(1S)-1-cyclohexylethane-1,2-diamine
SMILESNC[C@@H](N)C1CCCCC1
InChIInChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2/t8-/m1/s1
InChIKeyZGITYUSQHMGSRF-MRVPVSSYSA-N
MW142.25 g/mol
LogP0.85
Rot. Bonds2

About (1S)-1-cyclohexylethane-1,2-diamine

(1S)-1-cyclohexylethane-1,2-diamine (PubChem CID 10877224) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (1S)-1-cyclohexylethane-1,2-diamine.

Molecular Properties

Compound Name(1S)-1-cyclohexylethane-1,2-diamine
PubChem CID10877224
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(1S)-1-cyclohexylethane-1,2-diamine
SMILESNC[C@@H](N)C1CCCCC1
InChIInChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2/t8-/m1/s1
InChIKeyZGITYUSQHMGSRF-MRVPVSSYSA-N
XLogP0.85
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexylethane-1,2-diamine?
The IUPAC name of (1S)-1-cyclohexylethane-1,2-diamine (CID 10877224) is (1S)-1-cyclohexylethane-1,2-diamine.
What is the SMILES notation for (1S)-1-cyclohexylethane-1,2-diamine?
The canonical SMILES for (1S)-1-cyclohexylethane-1,2-diamine is NC[C@@H](N)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexylethane-1,2-diamine?
The InChIKey is ZGITYUSQHMGSRF-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H18N2/c9-6-8(10)7-4-2-1-3-5-7/h7-8H,1-6,9-10H2/t8-/m1/s1.
What are the key properties of (1S)-1-cyclohexylethane-1,2-diamine?
(1S)-1-cyclohexylethane-1,2-diamine has a molecular weight of 142.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexylethane-1,2-diamine is sourced from PubChem (CID 10877224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).