N-prop-2-enoxycyclohexanamine

C9H17NO — CID 131227373

IUPACN-prop-2-enoxycyclohexanamine
SMILESC=CCONC1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2
InChIKeyXLGSGEYCSZSFFK-UHFFFAOYSA-N
MW155.24 g/mol
LogP2.03
Rot. Bonds4

About N-prop-2-enoxycyclohexanamine

N-prop-2-enoxycyclohexanamine (PubChem CID 131227373) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is N-prop-2-enoxycyclohexanamine.

Molecular Properties

Compound NameN-prop-2-enoxycyclohexanamine
PubChem CID131227373
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC NameN-prop-2-enoxycyclohexanamine
SMILESC=CCONC1CCCCC1
InChIInChI=1S/C9H17NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2
InChIKeyXLGSGEYCSZSFFK-UHFFFAOYSA-N
XLogP2.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enoxycyclohexanamine?
The IUPAC name of N-prop-2-enoxycyclohexanamine (CID 131227373) is N-prop-2-enoxycyclohexanamine.
What is the SMILES notation for N-prop-2-enoxycyclohexanamine?
The canonical SMILES for N-prop-2-enoxycyclohexanamine is C=CCONC1CCCCC1.
What is the InChIKey of N-prop-2-enoxycyclohexanamine?
The InChIKey is XLGSGEYCSZSFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-8-11-10-9-6-4-3-5-7-9/h2,9-10H,1,3-8H2.
What are the key properties of N-prop-2-enoxycyclohexanamine?
N-prop-2-enoxycyclohexanamine has a molecular weight of 155.24 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enoxycyclohexanamine is sourced from PubChem (CID 131227373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).