4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine

C15H28BrNO — CID 141050185

IUPAC4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCC(OCCCCCCBr)CC1
InChIInChI=1S/C15H28BrNO/c1-2-12-17-14-7-9-15(10-8-14)18-13-6-4-3-5-11-16/h2,14-15,17H,1,3-13H2
InChIKeyKDRYMQPBMOHOLA-UHFFFAOYSA-N
MW318.30 g/mol
LogP4.05
Rot. Bonds10

About 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine

4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine (PubChem CID 141050185) has the molecular formula C15H28BrNO and a molecular weight of 318.30 g/mol. Its IUPAC name is 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine
PubChem CID141050185
Molecular FormulaC15H28BrNO
Molecular Weight318.30 g/mol
Exact Mass317.14
IUPAC Name4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine
SMILESC=CCNC1CCC(OCCCCCCBr)CC1
InChIInChI=1S/C15H28BrNO/c1-2-12-17-14-7-9-15(10-8-14)18-13-6-4-3-5-11-16/h2,14-15,17H,1,3-13H2
InChIKeyKDRYMQPBMOHOLA-UHFFFAOYSA-N
XLogP4.05
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine?
The IUPAC name of 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine (CID 141050185) is 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine.
What is the SMILES notation for 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine?
The canonical SMILES for 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine is C=CCNC1CCC(OCCCCCCBr)CC1.
What is the InChIKey of 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine?
The InChIKey is KDRYMQPBMOHOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28BrNO/c1-2-12-17-14-7-9-15(10-8-14)18-13-6-4-3-5-11-16/h2,14-15,17H,1,3-13H2.
What are the key properties of 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine?
4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine has a molecular weight of 318.30 g/mol, XLogP of 4.05, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromohexoxy)-N-prop-2-enylcyclohexan-1-amine is sourced from PubChem (CID 141050185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).