cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine

C9H17NO — CID 124511992

IUPACcis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine
SMILESC=CCO[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C9H17NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2,8-9H,1,3-7,10H2/t8-,9+/m0/s1
InChIKeyGKPUIYVZFUQSHF-DTWKUNHWSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds3

About cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine

cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine (PubChem CID 124511992) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine.

Molecular Properties

Compound Namecis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine
PubChem CID124511992
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Namecis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine
SMILESC=CCO[C@@H]1CCC[C@H](N)C1
InChIInChI=1S/C9H17NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2,8-9H,1,3-7,10H2/t8-,9+/m0/s1
InChIKeyGKPUIYVZFUQSHF-DTWKUNHWSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine?
The IUPAC name of cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine (CID 124511992) is cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine.
What is the SMILES notation for cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine?
The canonical SMILES for cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine is C=CCO[C@@H]1CCC[C@H](N)C1.
What is the InChIKey of cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine?
The InChIKey is GKPUIYVZFUQSHF-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-6-11-9-5-3-4-8(10)7-9/h2,8-9H,1,3-7,10H2/t8-,9+/m0/s1.
What are the key properties of cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine?
cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-prop-2-enoxycyclohexan-1-amine is sourced from PubChem (CID 124511992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).